ChemSpider 2D Image | (2E)-4-(1,2,4-Thiadiazolidin-5-ylsulfanyl)-2-butene-1-thiol | C6H12N2S3

(2E)-4-(1,2,4-Thiadiazolidin-5-ylsulfanyl)-2-butene-1-thiol

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID111545401

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(1,2,4-Thiadiazolidin-5-ylsulfanyl)-2-buten-1-thiol [German] [ACD/IUPAC Name]
(2E)-4-(1,2,4-Thiadiazolidin-5-ylsulfanyl)-2-butene-1-thiol [ACD/IUPAC Name]
(2E)-4-(1,2,4-Thiadiazolidin-5-ylsulfanyl)-2-butène-1-thiol [French] [ACD/IUPAC Name]
2-Butene-1-thiol, 4-(1,2,4-thiadiazolidin-5-ylthio)-, (2E)- [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: 379.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.4±30.7 °C
Index of Refraction: 1.650
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 29.10
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 82.91
Polar Surface Area: 113 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 161.5±5.0 cm3

Click to predict properties on the Chemicalize site


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