ChemSpider 2D Image | 2-(Thiomethylene)-4-Methylpentanoic Acid | C7H14O2S

2-(Thiomethylene)-4-Methylpentanoic Acid

  • Molecular FormulaC7H14O2S
  • Average mass162.250 Da
  • Monoisotopic mass162.071457 Da
  • ChemSpider ID16744201

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Methyl-2-(sulfanylmethyl)pentanoic acid [ACD/IUPAC Name]
(2S)-4-Methyl-2-(sulfanylmethyl)pentansäure [German] [ACD/IUPAC Name]
2-(Thiomethylene)-4-Methylpentanoic Acid
Acide (2S)-4-méthyl-2-(sulfanylméthyl)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-(mercaptomethyl)-4-methyl-, (2S)- [ACD/Index Name]
(R)-RETRO-THIORPHAN

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

RRT [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: 259.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.7±6.0 kJ/mol
Flash Point: 110.6±22.6 °C
Index of Refraction: 1.483
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.23
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site


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