ChemSpider 2D Image | Methyl bisnorbiotinyl ketone | C9H14N2O2S

Methyl bisnorbiotinyl ketone

  • Molecular FormulaC9H14N2O2S
  • Average mass214.285 Da
  • Monoisotopic mass214.077598 Da
  • ChemSpider ID13628421

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methyl bisnorbiotinyl ketone
(3aS,4S,6aR)-4-(3-Oxobutyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,4S,6aR)-4-(3-Oxobutyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one [ACD/IUPAC Name]
(3aS,4S,6aR)-4-(3-Oxobutyl)tétrahydro-1H-thiéno[3,4-d]imidazol-2(3H)-one [French] [ACD/IUPAC Name]
(3aS,4S,6aR)-Tetrahydro-4-(3-oxobutyl)-1H-thieno[3,4-d]imidazol-2(3H)-one
1H-Thieno[3,4-d]imidazol-2(3H)-one, tetrahydro-4-(3-oxobutyl)-, (3aS,4S,6aR)- [ACD/Index Name]
35638-35-8 [RN]
(3aS,4S,6aR)-4-(3-oxobutyl)-hexahydro-1H-thieno[3,4-d]imidazolidin-2-one
(3aS,4S,6aR)-4-(3-oxobutyl)-hexahydrothieno[3,4-d]imidazolidin-2-one
[3aS-(3aa,4b,6aa)]-tetrahydro-4-(3-oxobutyl)-1H-Thieno[3,4-D]imidazol-2(3H)-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05796 [DBID]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 487.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 75.3±0.0 kJ/mol
Flash Point: 248.6±0.0 °C
Index of Refraction: 1.524
Molar Refractivity: 54.7±0.0 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.56
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.56
Polar Surface Area: 84 Å2
Polarizability: 21.7±0.0 10-24cm3
Surface Tension: 38.3±0.0 dyne/cm
Molar Volume: 178.6±0.0 cm3

Click to predict properties on the Chemicalize site


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