ChemSpider 2D Image | 5-Methyl-1,3-benzothiazole-2-carbothialdehyde | C9H7NS2

5-Methyl-1,3-benzothiazole-2-carbothialdehyde

  • Molecular FormulaC9H7NS2
  • Average mass193.289 Da
  • Monoisotopic mass193.001984 Da
  • ChemSpider ID24181816

More details:

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

2-Benzothiazolecarbothioaldehyde, 5-methyl- [ACD/Index Name]
5-Methyl-1,3-benzothiazol-2-carbothialdehyd [German] [ACD/IUPAC Name]
5-Methyl-1,3-benzothiazole-2-carbothialdehyde [ACD/IUPAC Name]
5-Méthyl-1,3-benzothiazole-2-carbothialdéhyde [French] [ACD/IUPAC Name]
2-BENZO[D]THIAZOLECARBOTHIOALDEHYDE,5-METHYL-
2-Benzothiazolecarbothioaldehyde, 5-methyl- (9CI)
541539-61-1 [RN]
5-methylbenzo[d]thiazole-2-carbothialdehyde

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

Density: 1.4±0.1 g/cm3
Boiling Point: 327.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 151.6±25.9 °C
Index of Refraction: 1.777
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.25
ACD/KOC (pH 5.5): 880.54
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.25
ACD/KOC (pH 7.4): 880.54
Polar Surface Area: 73 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site


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