Found 582 results

Search term: MF = 'C_{7}H_{12}N_{4}O_{3}S'
ChemSpider 2D Image | 7-(Methylsulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one | C7H12N4O3S

7-(Methylsulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

  • Molecular FormulaC7H12N4O3S
  • Average mass232.260 Da
  • Monoisotopic mass232.063004 Da
  • ChemSpider ID53588955

More details:

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

3H-1,2,4-Triazolo[4,3-d][1,4]diazepin-3-one, 2,5,6,7,8,9-hexahydro-7-(methylsulfonyl)- [ACD/Index Name]
7-(Methylsulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-on [German] [ACD/IUPAC Name]
7-(Methylsulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one [ACD/IUPAC Name]
7-(Méthylsulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-one [French] [ACD/IUPAC Name]

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: 1.727
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 90 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 136.0±7.0 cm3

Click to predict properties on the Chemicalize site


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