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Search term: GISVXBSFZMKOTI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol | C16H15N3OS

4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol

  • Molecular FormulaC16H15N3OS
  • Average mass297.375 Da
  • Monoisotopic mass297.093567 Da
  • ChemSpider ID17828021

More details:

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

4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol
4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenol [German] [ACD/IUPAC Name]
4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenol [ACD/IUPAC Name]
4-[5-(Benzylsulfanyl)-4-méthyl-4H-1,2,4-triazol-3-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[4-methyl-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
4-(5-BENZYLSULFANYL-4-METHYL-1,2,4-TRIAZOL-3-YL)PHENOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 277.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.30
ACD/KOC (pH 5.5): 1659.24
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 196.76
ACD/KOC (pH 7.4): 1475.26
Polar Surface Area: 76 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 235.8±7.0 cm3

Click to predict properties on the Chemicalize site


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