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CAS No.: | 433-17-0 |
---|---|
Name: | Benzothiazole-2-Sulfonamide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H6N2O2S2 |
Molecular Weight: | 214.269 |
Synonyms: | 6-Hydrogen-2-benzothiazolesulfonamide; |
Density: | 1.584 g/cm3 |
Boiling Point: | 430.9 °C at 760 mmHg |
Flash Point: | 214.4 °C |
PSA: | 109.67000 |
LogP: | 2.72480 |
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The 2-Benzothiazolesulfonamide, with the CAS registry number 433-17-0, is also known as 6-Hydrogen-2-benzothiazolesulfonamide. It belongs to the product category of Enzothiazole. This chemical's molecular formula is C7H6N2O2S2 and molecular weight is 214.2647. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Benzothiazole-2-sulfonamide.
Physical properties about 2-Benzothiazolesulfonamide are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.308; (5)ACD/BCF (pH 5.5): 6.033; (6)ACD/BCF (pH 7.4): 5.736; (7)ACD/KOC (pH 5.5): 125.96; (8)ACD/KOC (pH 7.4): 119.755; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 109.67 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 52.688 cm3; (15)Molar Volume: 135.201 cm3; (16)Surface Tension: 75.341 dyne/cm; (17)Density: 1.585 g/cm3; (18)Flash Point: 214.41 °C; (19)Enthalpy of Vaporization: 68.645 kJ/mol; (20)Boiling Point: 430.915 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)nc(s2)S(=O)(=O)N
(2) InChI: InChI=1/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)
(3) InChIKey: SDYMYAFSQACTQP-UHFFFAOYAN