ChemSpider 2D Image | 5-[(S)-Amino(carboxy)methyl]-4-methyl-2-thiophenecarboxylic acid | C8H9NO4S

5-[(S)-Amino(carboxy)methyl]-4-methyl-2-thiophenecarboxylic acid

  • Molecular FormulaC8H9NO4S
  • Average mass215.226 Da
  • Monoisotopic mass215.025223 Da
  • ChemSpider ID32821955
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Thiopheneacetic acid, α-amino-5-carboxy-3-methyl-, (αS)- [ACD/Index Name]
5-[(S)-Amino(carboxy)methyl]-4-methyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-[(S)-Amino(carboxy)methyl]-4-methyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(S)-amino(carboxy)méthyl]-4-méthyl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
(S)-5-(amino(carboxy)methyl)-4-methylthiophene-2-carboxylic acid
3-MATIDA
518357-51-2 [RN]
679404-66-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 461.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.8±28.7 °C
Index of Refraction: 1.652
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 139.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement