ChemSpider 2D Image | (2R)-2-Pentanethiol | C5H12S

(2R)-2-Pentanethiol

  • Molecular FormulaC5H12S
  • Average mass104.214 Da
  • Monoisotopic mass104.065971 Da
  • ChemSpider ID34985024

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Pentanethiol [ACD/IUPAC Name]
(2R)-2-Pentanethiol [French] [ACD/IUPAC Name]
(2R)-2-Pentanthiol [German] [ACD/IUPAC Name]
2-PENTANETHIOL, (2R)- [ACD/Index Name]
(2R)-Pentane-2-thiol
2084-19-7 [RN]
212195-83-0 [RN]
218-224-4 [EINECS]
2-Pentanethiol [ACD/Index Name] [ACD/IUPAC Name]
UNII-529XY6M4QX

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

Density: 0.8±0.1 g/cm3
Boiling Point: 114.8±8.0 °C at 760 mmHg
Vapour Pressure: 23.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.9±3.0 kJ/mol
Flash Point: 15.0±18.6 °C
Index of Refraction: 1.440
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.02
ACD/KOC (pH 5.5): 580.78
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.01
ACD/KOC (pH 7.4): 580.63
Polar Surface Area: 39 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 24.9±3.0 dyne/cm
Molar Volume: 125.5±3.0 cm3

Click to predict properties on the Chemicalize site


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