ChemSpider 2D Image | {1-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]cyclohexyl}methanethiol | C10H20N2S3

{1-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]cyclohexyl}methanethiol

  • Molecular FormulaC10H20N2S3
  • Average mass264.474 Da
  • Monoisotopic mass264.078857 Da
  • ChemSpider ID111550351

More details:

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

{1-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]cyclohexyl}methanethiol [ACD/IUPAC Name]
{1-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)méthyl]cyclohexyl}méthanethiol [French] [ACD/IUPAC Name]
{1-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]cyclohexyl}methanthiol [German] [ACD/IUPAC Name]
Cyclohexanemethanethiol, 1-[(1,2,4-thiadiazolidin-5-ylthio)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 14.42
ACD/KOC (pH 5.5): 164.95
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.59
ACD/KOC (pH 7.4): 555.79
Polar Surface Area: 113 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 215.4±5.0 cm3

Click to predict properties on the Chemicalize site


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