ChemSpider 2D Image | S-(3-Methylbut-2-en-1-yl) 3-methylbutanethioate | C10H18OS

S-(3-Methylbut-2-en-1-yl) 3-methylbutanethioate

  • Molecular FormulaC10H18OS
  • Average mass186.314 Da
  • Monoisotopic mass186.107834 Da
  • ChemSpider ID28475393

More details:






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

1Y1&U2SV1Y1&1 [WLN]
3-Méthylbutanethioate de S-(3-méthyl-2-butén-1-yle) [French] [ACD/IUPAC Name]
75631-91-3 [RN]
Butanethioic acid, 3-methyl-, S-(3-methyl-2-buten-1-yl) ester [ACD/Index Name]
Prenyl thioisovalerate
S-(3-Methyl-2-buten-1-yl) 3-methylbutanethioate
S-(3-Methyl-2-buten-1-yl)-3-methylbutanthioat [German] [ACD/IUPAC Name]
S-(3-Methylbut-2-en-1-yl) 3-methylbutanethioate [ACD/IUPAC Name]

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

701V2T2HQ7 [DBID]
UNII:701V2T2HQ7 [DBID]
UNII-701V2T2HQ7 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 232.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 81.4±15.0 °C
Index of Refraction: 1.479
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 399.83
ACD/KOC (pH 5.5): 2535.30
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 399.83
ACD/KOC (pH 7.4): 2535.30
Polar Surface Area: 42 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 198.5±3.0 cm3

Click to predict properties on the Chemicalize site






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