ChemSpider 2D Image | 1,3-Benzothiazole-6-sulfonic acid | C7H5NO3S2

1,3-Benzothiazole-6-sulfonic acid

  • Molecular FormulaC7H5NO3S2
  • Average mass215.249 Da
  • Monoisotopic mass214.971085 Da
  • ChemSpider ID10624935

More details:

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

1,3-Benzothiazol-6-sulfonsäure [German] [ACD/IUPAC Name]
1,3-Benzothiazole-6-sulfonic acid [ACD/IUPAC Name]
145708-16-3 [RN]
6-Benzothiazolesulfonic acid [ACD/Index Name]
Acide 1,3-benzothiazole-6-sulfonique [French] [ACD/IUPAC Name]
Benzo[d]thiazole-6-sulfonic acid
Benzo[d]thiazole-6-sulfonicacid
benzothiazoline-6-sulfonic acid
BS-15799
MFCD18451885 [MDL number]

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: 1.713
Molar Refractivity: 50.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 129.0±3.0 cm3

Click to predict properties on the Chemicalize site


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