ChemSpider 2D Image | [(Carboxymethyl)sulfanyl](sulfanyl)acetic acid | C4H6O4S2

[(Carboxymethyl)sulfanyl](sulfanyl)acetic acid

  • Molecular FormulaC4H6O4S2
  • Average mass182.218 Da
  • Monoisotopic mass181.970749 Da
  • ChemSpider ID60608249

More details:

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

[(Carboxymethyl)sulfanyl](sulfanyl)acetic acid [ACD/IUPAC Name]
[(Carboxymethyl)sulfanyl](sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(carboxymethyl)thio]-2-mercapto- [ACD/Index Name]
Acide [(carboxyméthyl)sulfanyl](sulfanyl)acétique [French] [ACD/IUPAC Name]
16493-24-6 [RN]
MFCD20643301

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

Density: 1.6±0.1 g/cm3
Boiling Point: 355.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.0±6.0 kJ/mol
Flash Point: 169.1±27.9 °C
Index of Refraction: 1.623
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 112.2±3.0 cm3

Click to predict properties on the Chemicalize site


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