ChemSpider 2D Image | Methyl 3-aminotetrahydro-3-thiophenecarboxylate | C6H11NO2S

Methyl 3-aminotetrahydro-3-thiophenecarboxylate

  • Molecular FormulaC6H11NO2S
  • Average mass161.222 Da
  • Monoisotopic mass161.051056 Da
  • ChemSpider ID28023637

More details:

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

3-Aminotétrahydro-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 3-aminotetrahydro-, methyl ester [ACD/Index Name]
Methyl 3-aminotetrahydro-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-aminotetrahydro-3-thiophencarboxylat [German] [ACD/IUPAC Name]
[742051-73-6] [RN]
3-aminotetrahydro-3-Thiophenecarboxylic acid methyl ester
742051-73-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4528237/
methyl 3-aminotetrahydrothiophene-3-carboxylate
methyl 3-aminothiolane-3-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 239.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 98.3±27.3 °C
Index of Refraction: 1.535
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.12
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.00
Polar Surface Area: 78 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 131.8±3.0 cm3

Click to predict properties on the Chemicalize site


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