ChemSpider 2D Image | (2Z)-2-(1,3-Benzothiazol-2-yl)-3-[(3-chloro-2-methylphenyl)amino]-3-sulfanylacrylonitrile | C17H12ClN3S2

(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[(3-chloro-2-methylphenyl)amino]-3-sulfanylacrylonitrile

  • Molecular FormulaC17H12ClN3S2
  • Average mass357.880 Da
  • Monoisotopic mass357.016113 Da
  • ChemSpider ID26949593

More details:

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

(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[(3-chlor-2-methylphenyl)amino]-3-sulfanylacrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[(3-chloro-2-methylphenyl)amino]-3-sulfanylacrylonitrile [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[(3-chloro-2-méthylphényl)amino]-3-sulfanylacrylonitrile [French] [ACD/IUPAC Name]
2-Benzothiazoleacetonitrile, α-[[(3-chloro-2-methylphenyl)amino]mercaptomethylene]-, (αZ)- [ACD/Index Name]
2-(1,3-benzothiazol-2-yl)-3-[(3-chloro-2-methylphenyl)amino]-3-sulfanylprop-2-enenitrile
2-Benzenesulfonylthiophene-5-sulfonyl chloride
379255-69-3 [RN]
MFCD03147391 [MDL number]
MFCD07290035

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 238.0±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1704.14
ACD/KOC (pH 5.5): 5711.10
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 39.91
ACD/KOC (pH 7.4): 133.74
Polar Surface Area: 116 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site


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