ChemSpider 2D Image | (3S)-3-Methyl-1,2,4-trithiane | C4H8S3

(3S)-3-Methyl-1,2,4-trithiane

  • Molecular FormulaC4H8S3
  • Average mass152.301 Da
  • Monoisotopic mass151.978806 Da
  • ChemSpider ID34990653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Methyl-1,2,4-trithian [German] [ACD/IUPAC Name]
(3S)-3-Methyl-1,2,4-trithiane [ACD/IUPAC Name]
(3S)-3-Méthyl-1,2,4-trithiane [French] [ACD/IUPAC Name]
1,2,4-Trithiane, 3-methyl-, (3S)- [ACD/Index Name]
256-056-3 [EINECS]
3-Methyl-1,2,4-trithiane [ACD/IUPAC Name]
43040-01-3 [RN]
UNII-G1961C379S

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

Density: 1.2±0.1 g/cm3
Boiling Point: 242.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 108.2±21.3 °C
Index of Refraction: 1.605
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.37
ACD/KOC (pH 5.5): 499.84
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.37
ACD/KOC (pH 7.4): 499.84
Polar Surface Area: 76 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 124.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement