Found 10 results

Search term: MF = 'C_{3}H_{7}NO_{3}S_{2}'
ChemSpider 2D Image | (2S)-2-Amino-1-oxo-3-sulfanyl-1-propanesulfinic acid | C3H7NO3S2

(2S)-2-Amino-1-oxo-3-sulfanyl-1-propanesulfinic acid

  • Molecular FormulaC3H7NO3S2
  • Average mass169.223 Da
  • Monoisotopic mass168.986740 Da
  • ChemSpider ID67162906

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-1-oxo-3-sulfanyl-1-propanesulfinic acid [ACD/IUPAC Name]
(2S)-2-Amino-1-oxo-3-sulfanyl-1-propansulfinsäure [German] [ACD/IUPAC Name]
1-Propanesulfinic acid, 2-amino-3-mercapto-1-oxo-, (2S)- [ACD/Index Name]
Acide (2S)-2-amino-1-oxo-3-sulfanyl-1-propanesulfinique [French] [ACD/IUPAC Name]
cysteinyl sulfinic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 400.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 195.9±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 107.0±3.0 dyne/cm
Molar Volume: 100.3±3.0 cm3

Click to predict properties on the Chemicalize site


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