ChemSpider 2D Image | (1S,6R)-6-(1,3,4-Thiadiazol-2-ylcarbamoyl)-3-cyclohexene-1-carboxylic acid | C10H11N3O3S

(1S,6R)-6-(1,3,4-Thiadiazol-2-ylcarbamoyl)-3-cyclohexene-1-carboxylic acid

  • Molecular FormulaC10H11N3O3S
  • Average mass253.278 Da
  • Monoisotopic mass253.052109 Da
  • ChemSpider ID50722262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6R)-6-(1,3,4-Thiadiazol-2-ylcarbamoyl)-3-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,6R)-6-(1,3,4-Thiadiazol-2-ylcarbamoyl)-3-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 6-[(1,3,4-thiadiazol-2-ylamino)carbonyl]-, (1S,6R)- [ACD/Index Name]
Acide (1S,6R)-6-(1,3,4-thiadiazol-2-ylcarbamoyl)-3-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 87.9±3.0 dyne/cm
Molar Volume: 166.5±3.0 cm3

Click to predict properties on the Chemicalize site


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