ChemSpider 2D Image | tert-butyl 4-(carbamothioylmethyl)piperidine-1-carboxylate | C12H22N2O2S

tert-butyl 4-(carbamothioylmethyl)piperidine-1-carboxylate

  • Molecular FormulaC12H22N2O2S
  • Average mass258.380 Da
  • Monoisotopic mass258.140198 Da
  • ChemSpider ID34563855

More details:

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

1491969-77-7 [RN]
1-Piperidinecarboxylic acid, 4-(2-amino-2-thioxoethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-amino-2-thioxoethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-amino-2-thioxoethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(2-Amino-2-thioxoéthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(carbamothioylmethyl)piperidine-1-carboxylate
MFCD29051124
NS-03970
tert-butyl 4-(2-amino-2-thioxoethyl)piperidine-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 371.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.4±25.7 °C
Index of Refraction: 1.532
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.70
ACD/KOC (pH 5.5): 189.89
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.70
ACD/KOC (pH 7.4): 189.92
Polar Surface Area: 88 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site


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