Found 358 results

Search term: MF = 'C_{11}H_{11}N_{7}OS'
ChemSpider 2D Image | 4-[2-(Methylsulfanyl)phenyl]-5-(1H-tetrazol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C11H11N7OS

4-[2-(Methylsulfanyl)phenyl]-5-(1H-tetrazol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC11H11N7OS
  • Average mass289.316 Da
  • Monoisotopic mass289.074585 Da
  • ChemSpider ID29626560

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[2-(methylthio)phenyl]-5-(1H-tetrazol-5-ylmethyl)- [ACD/Index Name]
4-[2-(Methylsulfanyl)phenyl]-5-(1H-tetrazol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-[2-(Methylsulfanyl)phenyl]-5-(1H-tetrazol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-[2-(Méthylsulfanyl)phényl]-5-(1H-tétrazol-5-ylméthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
4-[2-(methylthio)phenyl]-5-(1H-tetrazol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 76.4±7.0 dyne/cm
Molar Volume: 174.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement