ChemSpider 2D Image | Oxo({2-[(2-sulfanylpropanoyl)amino]ethyl}amino)ethanethioic S-acid | C7H12N2O3S2

Oxo({2-[(2-sulfanylpropanoyl)amino]ethyl}amino)ethanethioic S-acid

  • Molecular FormulaC7H12N2O3S2
  • Average mass236.312 Da
  • Monoisotopic mass236.028931 Da
  • ChemSpider ID28719183

More details:

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

Ethanethioic acid, 2-[[2-[(2-mercapto-1-oxopropyl)amino]ethyl]amino]-2-oxo- [ACD/Index Name]
Oxo({2-[(2-sulfanylpropanoyl)amino]ethyl}amino)ethanethioic S-acid [ACD/IUPAC Name]
Oxo({2-[(2-sulfanylpropanoyl)amino]ethyl}amino)ethanthio-S-säure [German] [ACD/IUPAC Name]
S-Acide d'oxo({2-[(2-sulfanylpropanoyl)amino]éthyl}amino)éthanethioïque [French] [ACD/IUPAC Name]
106664-30-6 [RN]
ETHANETHIOIC ACID, [[2-[(2-MERCAPTO-1-OXOPROPYL)AMINO]ETHYL]AMINO]OXO-
Oxo{[2-(2-sulfanylpropanamido)ethyl]amino}ethanethioic S-acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 172.9±3.0 cm3

Click to predict properties on the Chemicalize site


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