ChemSpider 2D Image | 3-Sulfanylbenzenecarbothioic S-acid | C7H6OS2

3-Sulfanylbenzenecarbothioic S-acid

  • Molecular FormulaC7H6OS2
  • Average mass170.252 Da
  • Monoisotopic mass169.986008 Da
  • ChemSpider ID98181074

More details:

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

3-Sulfanylbenzenecarbothioic S-acid [ACD/IUPAC Name]
3-Sulfanylbenzolcarbothio-S-säure [German] [ACD/IUPAC Name]
Benzenecarbothioic acid, 3-mercapto- [ACD/Index Name]
S-Acide de 3-sulfanylbenzènecarbothioïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 307.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.5±25.7 °C
Index of Refraction: 1.648
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

Click to predict properties on the Chemicalize site


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