ChemSpider 2D Image | 2-Methyl-5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid | C11H18N2O3S

2-Methyl-5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

  • Molecular FormulaC11H18N2O3S
  • Average mass258.337 Da
  • Monoisotopic mass258.103821 Da
  • ChemSpider ID32820881

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-α-methyl-2-oxo-, (4S)- [ACD/Index Name]
2-Methyl-5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid [ACD/IUPAC Name]
2-Methyl-5-[(4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentansäure [German] [ACD/IUPAC Name]
Acide 2-méthyl-5-[(4S)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoïque [French] [ACD/IUPAC Name]
415725-35-8 [RN]
9-Methyl Biotin (mixture of diastereomers)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 293.8±25.9 °C
Index of Refraction: 1.537
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 209.6±3.0 cm3

Click to predict properties on the Chemicalize site


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