-
Name
6-Benzothiazolesulfonamide(9CI)
- EINECS
- CAS No. 656236-38-3
- Article Data2
- CAS DataBase
- Density 1.585 g/cm3
- Solubility
- Melting Point
- Formula C7H6N2O2S2
- Boiling Point 444.11 °C at 760 mmHg
- Molecular Weight 214.2647
- Flash Point 222.39 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-Benzothiazolesulfonamide(9CI);6-Benzothiazolesulfonamide
- PSA 109.67000
- LogP 2.72480
6-Benzothiazolesulfonamide Specification
The 6-Benzothiazolesulfonamide is an organic compound with the formula C7H6N2O2S2. The systematic name of this chemical is 1,3-benzothiazole-6-sulfonamide. With the CAS registry number 656236-38-3, the product's category is Benzothiazole.
Physical properties about 6-Benzothiazolesulfonamide are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/LogD (pH 7.4): 0.208; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.988; (7)ACD/KOC (pH 7.4): 30.87; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 109.67 Å2; (12)Index of Refraction: 1.708; (13)Molar Refractivity: 52.688 cm3; (14)Molar Volume: 135.201 cm3; (15)Polarizability: 20.887×10-24cm3; (16)Surface Tension: 75.341 dyne/cm; (17)Density: 1.585 g/cm3; (18)Flash Point: 222.39 °C; (19)Enthalpy of Vaporization: 70.187 kJ/mol; (20)Boiling Point: 444.11 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1S(=O)(=O)N)scn2
(2)InChI: InChI=1/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)
(3)InChIKey: KRRLILAOGRCMFH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)
(5)Std. InChIKey: KRRLILAOGRCMFH-UHFFFAOYSA-N
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