ChemSpider 2D Image | 4-[(Methoxycarbonyl)amino]tetrahydro-3-thiophenecarboxylic acid | C7H11NO4S

4-[(Methoxycarbonyl)amino]tetrahydro-3-thiophenecarboxylic acid

  • Molecular FormulaC7H11NO4S
  • Average mass205.232 Da
  • Monoisotopic mass205.040878 Da
  • ChemSpider ID24202968

More details:

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

3-Thiophenecarboxylic acid, tetrahydro-4-[(methoxycarbonyl)amino]- [ACD/Index Name]
4-[(Methoxycarbonyl)amino]tetrahydro-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-[(Methoxycarbonyl)amino]tetrahydro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(méthoxycarbonyl)amino]tétrahydro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-THIOPHENECARBOXYLIC ACID TETRAHYDRO-4-[(METHOXYCARBONYL)AMINO]-
3-Thiophenecarboxylic acid, tetrahydro-4-[(methoxycarbonyl)amino]- (9CI)
3-THIOPHENECARBOXYLICACID, TETRAHYDRO-4-[(METHOXYCARBONYL)AMINO]-
4-((methoxycarbonyl)amino)tetrahydrothiophene-3-carboxylic acid
4-[(Methoxycarbonyl)amino]thiolane-3-carboxylic acid
412304-66-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 428.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 213.1±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 47.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 147.1±5.0 cm3

Click to predict properties on the Chemicalize site


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