ChemSpider 2D Image | N-[3-(3-Cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamide | C13H14N4OS

N-[3-(3-Cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamide

  • Molecular FormulaC13H14N4OS
  • Average mass274.341 Da
  • Monoisotopic mass274.088837 Da
  • ChemSpider ID21926793

More details:

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

Acetamide, N-[3-(3-cyclopropyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)phenyl]- [ACD/Index Name]
N-[3-(3-Cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[3-(3-Cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamide [ACD/IUPAC Name]
N-[3-(3-Cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phényl]acétamide [French] [ACD/IUPAC Name]
1031130-96-7 [RN]
MFCD09971477 [MDL number]
N-[3-(3-cyclopropyl-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl]acetamide
N-[3-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide

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: 1.750
Molar Refractivity: 75.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.92
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 99 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 186.4±7.0 cm3

Click to predict properties on the Chemicalize site


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