ChemSpider 2D Image | phenothiazine | C12H9NS

phenothiazine

  • Molecular FormulaC12H9NS
  • Average mass199.272 Da
  • Monoisotopic mass199.045563 Da
  • ChemSpider ID21106365

More details:



Featured data source



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

10H-Phenothiazin [German] [ACD/IUPAC Name]
10H-Phenothiazine [ACD/Index Name] [ACD/IUPAC Name]
10H-Phénothiazine [French] [ACD/IUPAC Name]
202-196-5 [EINECS]
4173
92-84-2 [RN]
fenotiazina [Spanish] [INN]
GS9EX7QNU6
Nemazine [Trade name]
phenothiazine [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

46624_RIEDEL [DBID]
AI3-00038 [DBID]
AIDS020149 [DBID]
AIDS-020149 [DBID]
BRN 0143237 [DBID]
Caswell No. 652 [DBID]
CCRIS 5877 [DBID]
D02601 [DBID]
ENT 38 [DBID]
EPA Pesticide Chemical Code 064501 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1900 (estimated with error: 89) NIST Spectra mainlib_154535, replib_22476, replib_228946
      2030 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 92842; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W; Data type: Kovats RI; Authors: McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 13, 1979, 71-79.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1992.7 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 1.1 m; Column type: Packed; Heat rate: 8.5 K/min; Start T: 50 C; End T: 300 C; CAS no: 92842; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Saxton, W.L., Emergence temperature indices and relative retention times of pesticides and industrial chemicals determined by linear programmed temperature gas chromatography, J. Chromatogr., 393, 1987, 175-194.) NIST Spectra nist ri
      2024 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Other; CAS no: 92842; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 220, 1981, 195-252.) NIST Spectra nist ri
      2001.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 92842; Active phase: DC-200; Carrier gas: He; Substrate: Chromosorb W HP (80-100 mesh); Data type: Normal alkane RI; Authors: Laski, R.R.; Watts, R.R., Gas chromatography of organonitrogen pesticides, using a nitrogen-specific detection system, J. Ass. Offic. Anal. Chem, 55(2), 1973, 328-332.) NIST Spectra nist ri
      2013.6 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 2.4 m; Column type: Packed; Heat rate: 10 K/min; Start T: 150 C; End T: 300 C; CAS no: 92842; Active phase: OV-101; Substrate: Gas Chrom Q; Data type: Normal alkane RI; Authors: Bowman, M.C.; Beroza, M., GLC Retention Times of Pesticides and Metabolites Containing Phosphorus and Sulfur on Four Thermally Stable Columns, J. Ass. Offic. Anal. Chem, 53(3), 1970, 499-508.) NIST Spectra nist ri
    • Retention Index (Linear):

      2010 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 1.8 m; Column type: Packed; Heat rate: 8 K/min; Start T: 130 C; End T: 290 C; End time: 8 min; Start time: 2 min; CAS no: 92842; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W; Data type: Linear RI; Authors: Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 19, 1981, 219-226.) NIST Spectra nist ri

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.2±19.6 °C
Index of Refraction: 1.675
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 998.49
ACD/KOC (pH 5.5): 4881.23
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 998.49
ACD/KOC (pH 7.4): 4881.23
Polar Surface Area: 37 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 161.6±3.0 cm3

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