ChemSpider 2D Image | N-[3-(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamide | C11H12N4OS

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

  • Molecular FormulaC11H12N4OS
  • Average mass248.304 Da
  • Monoisotopic mass248.073181 Da
  • ChemSpider ID21926765

More details:

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

Acetamide, N-[3-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)phenyl]- [ACD/Index Name]
N-[3-(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[3-(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]acetamide [ACD/IUPAC Name]
N-[3-(3-Méthyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phényl]acétamide [French] [ACD/IUPAC Name]
137582-02-6 [RN]
acetamide,n-[3-(1,5-dihydro-3-methyl-5-thioxo-4h-1,2,4-triazol-4-yl)phenyl]-
MFCD09971418 [MDL number]
N-[3-(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide
N-[3-(3-methyl-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 181.9±7.0 cm3

Click to predict properties on the Chemicalize site


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