ChemSpider 2D Image | (2S)-2-(3-Carbamimidamidophenyl)-3-sulfanylpropanoic acid | C10H13N3O2S

(2S)-2-(3-Carbamimidamidophenyl)-3-sulfanylpropanoic acid

  • Molecular FormulaC10H13N3O2S
  • Average mass239.294 Da
  • Monoisotopic mass239.072845 Da
  • ChemSpider ID108530469

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Carbamimidamidophenyl)-3-sulfanylpropanoic acid [ACD/IUPAC Name]
(2S)-2-(3-Carbamimidamidophenyl)-3-sulfanylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(3-carbamimidamidophényl)-3-sulfanylpropanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(aminoiminomethyl)amino]-α-(mercaptomethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 412.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 203.0±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 62.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 166.6±7.0 cm3

Click to predict properties on the Chemicalize site


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