2-Benzothiazolesulfonamide supplier

Name
Benzothiazole-2-Sulfonamide
EINECS
CAS No. 433-17-0
Article Data8
CAS DataBase
Density 1.584 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂O₂S₂
Boiling Point 430.9 °C at 760 mmHg
Molecular Weight 214.269
Flash Point 214.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Hydrogen-2-benzothiazolesulfonamide;
PSA 109.67000
LogP 2.72480

2-Benzothiazolesulfonamide Specification

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

Product Name

Benzothiazole-2-Sulfonamide

2-Benzothiazolesulfonamide Specification

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