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Search term: mercaptan (Found by synonym)

ChemSpider 2D Image | Hydrogen sulfide | H2S

Hydrogen sulfide

  • Molecular FormulaH2S
  • Average mass34.081 Da
  • Monoisotopic mass33.987720 Da
  • ChemSpider ID391

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7783-06-4 [RN]
H2S [Formula]
Hydrogen sulfide [Wiki]
Hydrogen sulfide [UN1053] [Poison gas]
Hydrogen sulfure [French]
hydrogen sulphide
hydrogene sulfure [French]
Hydrogene sulphure [French]
Idrogeno solforato [Italian]
Hydrosulfurate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

13803_RIEDEL [DBID]
13825_RIEDEL [DBID]
213292_ALDRICH [DBID]
215198_SIAL [DBID]
215236_SIAL [DBID]
295442_ALDRICH [DBID]
344621_ALDRICH [DBID]
36576_RIEDEL [DBID]
414980_ALDRICH [DBID]
451924_ALDRICH [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a strong odor of rotten eggs. [Note: Sense of smell becomes rapidly fatigued & can NOT be relied upon to warn of the continuous presence of H2S. Shipped as a liquefied compressed ga s.] NIOSH MX1225000
      colourless gas with strong odour of rotten eggs (odour threshold ca 0.2 ppt) Oxford University Chemical Safety Data (No longer updated) More details
      yellow powder or fused solid, or amber to yellow crystals Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable. May form explosive mixture with air.Note wide explosive limits. Incompatible with strong oxidizing agents, many metals.May react violently with metal oxides, copper, fluori ne, sodium, ethanal. Oxford University Chemical Safety Data (No longer updated) More details
      Stable. Dust may form a flammable or explosive mixture with air.Incompatible with strong oxidizing agents, most common metals, hydrogen, chlorine, fluorine. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      F Abblis Chemicals AB1002328
      GHS07 Biosynth Q-201771
      H315; H319; H335 Biosynth Q-201771
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-201771
      Safety glasses, rubber gloves, good ventilation. Remove all sourcesof ignition from the working area. Oxford University Chemical Safety Data (No longer updated) More details
      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Biosynth Q-201771
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH MX1225000
    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH MX1225000
    • Symptoms:

      Irritation eyes, respiratory system; apnea, coma, convulsions; conjunctivitis, eye pain, lacrimation (discharge of tears), photophobia (abnormal visual intolerance to light), corneal vesiculation; diz ziness, headache, lassitude (weakness, exhaustion), irritability, insomnia; gastrointestinal disturbance; liquid: frostbite NIOSH MX1225000
    • Target Organs:

      Eyes, respiratory system, central nervous system NIOSH MX1225000
    • Incompatibility:

      Strong oxidizers, strong nitric acid, metals NIOSH MX1225000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: When wet (flammable) Change: No recommendation Provide: Frostbite wash NIOSH MX1225000
    • Exposure Limits:

      NIOSH REL : C 10 ppm (15 mg/m 3 ) [10-minute] OSHA PEL ?: C 20 ppm 50 ppm [10-minute maximum peak] NIOSH MX1225000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      438 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; CAS no: 7783064; Active phase: PONA; Phase thickness: 0.50 um; Data type: Normal alkane RI; Authors: Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y., Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector, Petrochemical Technology (Shiyou Huagong), 32(11), 2003, 995-998., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 150 C; CAS no: 7783064; Active phase: PONA; Phase thickness: 0.50 um; Data type: Normal alkane RI; Authors: Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y., Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector, Petrochemical Technology (Shiyou Huagong), 32(11), 2003, 995-998.) NIST Spectra nist ri
      480 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 70 C; End T: 220 C; End time: 40 min; CAS no: 7783064; Active phase: TC-Wax; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ishizaki, S.; Tachihara, T.; Tamura, H.; Yanai, T.; Kitahara, T., Evaluation of odour-active compounds in roasted shrimp (Sergia lucens Hansen) by aroma extract dilution analysis, Flavour Fragr. J., 20, 2005, 562-566., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 7783064; Active phase: TC-Wax; Data type: Normal alkane RI; Authors: Tachihara, T.; Ishizaki, S.; Ishikawa, M.; Kitahara, T., Studies on the volatile compounds of roasted spotted shrimp, Chemistry & Biodiversity, 1, 2004, 2024-2033.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: -60.7±9.0 °C at 760 mmHg
Vapour Pressure: 12581.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 18.7±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.23
    Log Kow (Exper. database match) =  -1.38
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  473.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  173.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  35.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  3.81 deg C
    BP  (exp database):  101.42 deg C
    VP  (exp database):  2.06E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.38 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.82e+005 mg/L (24 deg C)
        Exper. Ref:  DEAN,JA (1985)
     Water Sol (Exper. database match) =  3740 mg/L (21 deg C)
        Exper. Ref:  VANABLE,CS & FUWA,T (1922)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60488 mg/L
    Wat Sol (Exper. database match) =  482000.00
       Exper. Ref:  DEAN,JA (1985)
    Wat Sol (Exper. database match) =  3740.00
       Exper. Ref:  VANABLE,CS & FUWA,T (1922)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.69E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.578E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.38  (exp database)
  Log Kaw used:  -0.449  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.931
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7313
   Biowin2 (Non-Linear Model)     :   0.9259
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1239  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7986  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6108
   Biowin6 (MITI Non-Linear Model):   0.8237
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.75E+003 Pa (20.6 mm Hg)
  Log Koa (Koawin est  ): -0.931
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.09E-009 
       Octanol/air (Koa) model:  2.88E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.95E-008 
       Mackay model           :  8.74E-008 
       Octanol/air (Koa) model:  2.3E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.34E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -1.38 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00869 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.635  hours   (38.10 min)
    Half-Life from Model Lake :      55.88  hours   (2.328 days)

 Removal In Wastewater Treatment:
    Total removal:              77.40  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.59  percent
    Total to Air:               76.77  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55              1e+005       1000       
   Water     42.6            360          1000       
   Soil      2.33            720          1000       
   Sediment  0.0779          3.24e+003    0          
     Persistence Time: 148 hr




                    

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