ChemSpider 2D Image | 3-[(3-Methoxyphenyl)sulfanyl]-6-nitro-1,2-benzothiazole 1,1-dioxide | C14H10N2O5S2

3-[(3-Methoxyphenyl)sulfanyl]-6-nitro-1,2-benzothiazole 1,1-dioxide

  • Molecular FormulaC14H10N2O5S2
  • Average mass350.370 Da
  • Monoisotopic mass350.003113 Da
  • ChemSpider ID28537918

More details:

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

1,1-Dioxyde de 3-[(3-méthoxyphényl)sulfanyl]-6-nitro-1,2-benzothiazole [French] [ACD/IUPAC Name]
1,2-Benzisothiazole, 3-[(3-methoxyphenyl)thio]-6-nitro-, 1,1-dioxide [ACD/Index Name]
3-[(3-Methoxyphenyl)sulfanyl]-6-nitro-1,2-benzothiazol-1,1-dioxid [German] [ACD/IUPAC Name]
3-[(3-Methoxyphenyl)sulfanyl]-6-nitro-1,2-benzothiazole 1,1-dioxide [ACD/IUPAC Name]
3-(3-Methoxy-phenylsulfanyl)-6-nitro-benzo[d]isothiazole 1,1-dioxide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 580.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.41
ACD/KOC (pH 5.5): 670.90
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.41
ACD/KOC (pH 7.4): 670.90
Polar Surface Area: 135 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 223.0±7.0 cm3

Click to predict properties on the Chemicalize site


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