ChemSpider 2D Image | S-4-Pentyn-1-yl methanesulfonothioate | C6H10O2S2

S-4-Pentyn-1-yl methanesulfonothioate

  • Molecular FormulaC6H10O2S2
  • Average mass178.272 Da
  • Monoisotopic mass178.012222 Da
  • ChemSpider ID48060573

More details:

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

Méthanesulfonothioate de S-4-pentyn-1-yle [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-4-pentyn-1-yl ester [ACD/Index Name]
S-4-Pentin-1-yl-methansulfonothioat [German] [ACD/IUPAC Name]
S-4-Pentyn-1-yl methanesulfonothioate [ACD/IUPAC Name]
1027280-73-4 [RN]
1076199-31-9 [RN]
4-PENTYNYL METHANETHIOSULFONATE
5-(METHANESULFONYLSULFANYL)PENT-1-YNE
5-methylsulfonylsulfanylpent-1-yne
S-Pent-4-yn-1-yl methanesulfonothioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 148.6±23.2 °C
Index of Refraction: 1.520
Molar Refractivity: 44.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.92
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.92
Polar Surface Area: 68 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 146.3±3.0 cm3

Click to predict properties on the Chemicalize site


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