ChemSpider 2D Image | METHYL 3-METHYL-1-BUTENYL DISULFIDE | C6H12S2

METHYL 3-METHYL-1-BUTENYL DISULFIDE

  • Molecular FormulaC6H12S2
  • Average mass148.290 Da
  • Monoisotopic mass148.038040 Da
  • ChemSpider ID30777301

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-3-Methyl-1-(methyldisulfanyl)-1-buten [German] [ACD/IUPAC Name]
(1E)-3-Methyl-1-(methyldisulfanyl)-1-butene [ACD/IUPAC Name]
(1E)-3-Méthyl-1-(méthyldisulfanyl)-1-butène [French] [ACD/IUPAC Name]
233666-09-6 [RN]
Disulfide, methyl (1E)-3-methyl-1-buten-1-yl [ACD/Index Name]
METHYL 3-METHYL-1-BUTENYL DISULFIDE
(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
2-Methyl-5,6-dithia-3-heptene
FEMA 3865

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

U10N85EV9D [DBID]
UNII:U10N85EV9D [DBID]
UNII-U10N85EV9D [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 179.3±13.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 55.8±21.4 °C
Index of Refraction: 1.526
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.49
ACD/KOC (pH 5.5): 1359.98
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.49
ACD/KOC (pH 7.4): 1359.98
Polar Surface Area: 51 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 149.5±3.0 cm3

Click to predict properties on the Chemicalize site


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