ChemSpider 2D Image | (1S,1'S)-1,1'-Sulfanediyldi(1-propanethiol) | C6H14S3

(1S,1'S)-1,1'-Sulfanediyldi(1-propanethiol)

  • Molecular FormulaC6H14S3
  • Average mass182.370 Da
  • Monoisotopic mass182.025757 Da
  • ChemSpider ID34990127

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,1'S)-1,1'-Sulfandiyldi(1-propanthiol) [German] [ACD/IUPAC Name]
(1S,1'S)-1,1'-Sulfanediyldi(1-propanethiol) [ACD/IUPAC Name]
(1S,1'S)-1,1'-Sulfanediyldi(1-propanethiol) [French] [ACD/IUPAC Name]
1-Propanethiol, 1,1'-thiobis-, (1S,1'S)- [ACD/Index Name]
bis(1-Mercaptopropyl) sulfide
1-(1-SULFANYLPROPYLSULFANYL)PROPANE-1-THIOL
1-(propylthio)propane
1,1'-thiodipropane
111-47-7 [RN]
1-propylsulfanylpropane
More...

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

AI3-18787 [DBID]
CCRIS 3253 [DBID]
NSC 78429 [DBID]
NSC78429 [DBID]
P54280_ALDRICH [DBID]
ZINC01718826 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 225.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 90.3±23.2 °C
Index of Refraction: 1.541
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.35
ACD/KOC (pH 5.5): 942.43
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.60
ACD/KOC (pH 7.4): 916.65
Polar Surface Area: 103 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 170.4±3.0 cm3

Click to predict properties on the Chemicalize site


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