ChemSpider 2D Image | Methyl 4-amino-3-mercaptobenzoate | C8H9NO2S

Methyl 4-amino-3-mercaptobenzoate

  • Molecular FormulaC8H9NO2S
  • Average mass183.228 Da
  • Monoisotopic mass183.035400 Da
  • ChemSpider ID27027008

More details:

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

4-Amino-3-sulfanylbenzoate de méthyle [French] [ACD/IUPAC Name]
7025-27-6 [RN]
Benzoic acid, 4-amino-3-mercapto-, methyl ester [ACD/Index Name]
Methyl 4-amino-3-mercaptobenzoate
Methyl 4-amino-3-sulfanylbenzoate [ACD/IUPAC Name]
Methyl-4-amino-3-sulfanylbenzoat [German] [ACD/IUPAC Name]
[7025-27-6] [RN]
4-Amino-3-mercapto-benzoic acid methyl ester
Methyl4-amino-3-mercaptobenzoate
METHYL-4-AMINO-3-MERCAPTOBENZOATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 359.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.0±23.7 °C
Index of Refraction: 1.627
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 199.42
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 94.91
Polar Surface Area: 91 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 142.2±3.0 cm3

Click to predict properties on the Chemicalize site


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