ChemSpider 2D Image | 5-[(Cyanocarbonyl)amino]-2-methyl-1,3-benzothiazole | C10H7N3OS

5-[(Cyanocarbonyl)amino]-2-methyl-1,3-benzothiazole

  • Molecular FormulaC10H7N3OS
  • Average mass217.247 Da
  • Monoisotopic mass217.030975 Da
  • ChemSpider ID27444697

More details:

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

5-[(Cyancarbonyl)amino]-2-methyl-1,3-benzothiazol [German] [ACD/IUPAC Name]
5-[(Cyanocarbonyl)amino]-2-methyl-1,3-benzothiazole [ACD/IUPAC Name]
5-[(Cyanocarbonyl)amino]-2-méthyl-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 5-[(cyanocarbonyl)amino]-2-methyl- [ACD/Index Name]
(2-Methylbenzo[d]thiazol-5-yl)carbamoyl cyanide
1172365-30-8 [RN]
1-cyano-N-(2-methyl-1,3-benzothiazol-5-yl)formamide
MFCD14281917 [MDL number]

    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: 1.732
    Molar Refractivity: 59.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 4.52
    ACD/KOC (pH 5.5): 97.07
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.70
    Polar Surface Area: 94 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 74.7±3.0 dyne/cm
    Molar Volume: 149.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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