ChemSpider 2D Image | 1-propene-1-thiol | C3H6S

1-propene-1-thiol

  • Molecular FormulaC3H6S
  • Average mass74.145 Da
  • Monoisotopic mass74.019020 Da
  • ChemSpider ID23253409

More details:

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

(1E)-1-Propen-1-thiol [German] [ACD/IUPAC Name]
(1E)-1-Propene-1-thiol [ACD/IUPAC Name]
(1E)-1-Propène-1-thiol [French] [ACD/IUPAC Name]
1-propene-1-thiol
1-Propene-1-thiol, (1E)- [ACD/Index Name]
925-89-3 [RN]
prop-1-ene-1-thiol
1-propenethiol
Allyl mercaptan [Wiki]
propene-1-thiol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1900352 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 68.3±13.0 °C at 760 mmHg
Vapour Pressure: 152.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.7±3.0 kJ/mol
Flash Point: -5.0±17.9 °C
Index of Refraction: 1.470
Molar Refractivity: 23.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.75
ACD/KOC (pH 5.5): 177.54
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.46
ACD/KOC (pH 7.4): 153.98
Polar Surface Area: 39 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 24.4±3.0 dyne/cm
Molar Volume: 85.7±3.0 cm3

Click to predict properties on the Chemicalize site


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