ChemSpider 2D Image | (1R)-1-(2-Thienyl)ethanethiol | C6H8S2

(1R)-1-(2-Thienyl)ethanethiol

  • Molecular FormulaC6H8S2
  • Average mass144.258 Da
  • Monoisotopic mass144.006744 Da
  • ChemSpider ID34992040

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(2-Thienyl)ethanethiol [ACD/IUPAC Name]
(1R)-1-(2-Thiényl)éthanethiol [French] [ACD/IUPAC Name]
(1R)-1-(2-Thienyl)ethanthiol [German] [ACD/IUPAC Name]
2-Thiophenemethanethiol, α-methyl-, (αR)- [ACD/Index Name]
(1S)-1-(2-Thienyl)ethanethiol [ACD/IUPAC Name]
(1S)-1-thiophen-2-ylethanethiol
1-(2-Thienyl)ethanethiol [ACD/IUPAC Name]
302-104-4 [EINECS]
94089-02-8 [RN]
UNII-LFK7P06Z9U

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

ZINC06661650 [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: 212.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.1±3.0 kJ/mol
Flash Point: 82.5±20.4 °C
Index of Refraction: 1.580
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.75
ACD/KOC (pH 5.5): 965.24
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.44
ACD/KOC (pH 7.4): 962.36
Polar Surface Area: 67 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


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