ChemSpider 2D Image | 5-[(4S)-2-Iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid | C10H17N3O2S

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

  • Molecular FormulaC10H17N3O2S
  • Average mass243.326 Da
  • Monoisotopic mass243.104141 Da
  • ChemSpider ID57425862

  • defined stereocentres - 1 of 3 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-2-imino-, (4S)- [ACD/Index Name]
5-[(4S)-2-Iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid [ACD/IUPAC Name]
5-[(4S)-2-Iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(4S)-2-iminohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoïque [French] [ACD/IUPAC Name]
13395-35-2 [RN]
Guanidinobiotin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 427.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 212.0±31.5 °C
Index of Refraction: 1.737
Molar Refractivity: 61.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 151.9±7.0 cm3

Click to predict properties on the Chemicalize site


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