ChemSpider 2D Image | 2-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]-2-propene-1-thiol | C6H12N2S3

2-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]-2-propene-1-thiol

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID111562855

More details:

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

2-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]-2-propen-1-thiol [German] [ACD/IUPAC Name]
2-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)methyl]-2-propene-1-thiol [ACD/IUPAC Name]
2-[(1,2,4-Thiadiazolidin-5-ylsulfanyl)méthyl]-2-propène-1-thiol [French] [ACD/IUPAC Name]
2-Propene-1-thiol, 2-[(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: 1.3±0.1 g/cm3
Boiling Point: 375.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.8±30.7 °C
Index of Refraction: 1.635
Molar Refractivity: 58.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 30.99
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 95.40
Polar Surface Area: 113 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 163.3±5.0 cm3

Click to predict properties on the Chemicalize site


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