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Benzenesulfonamide,4-amino-N-2-benzothiazolyl-

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Name

Benzenesulfonamide,4-amino-N-2-benzothiazolyl-

EINECS N/A
CAS No. 6138-01-8 Density 1.545 g/cm3
PSA 121.70000 LogP 4.41430
Solubility N/A Melting Point N/A
Formula C13H11N3O2S2 Boiling Point 536.2 °C at 760 mmHg
Molecular Weight 305.381 Flash Point 278.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6138-01-8 (4-amino-N-benzothiazol-2-yl-benzenesulfonamide) Hazard Symbols N/A
Synonyms

Sulfanilamide,N1-2-benzothiazolyl- (7CI,8CI);NSC 41827;Sulfabenzothiazole;

Article Data 15

Benzenesulfonamide,4-amino-N-2-benzothiazolyl- Specification

The CAS registry number of Benzenesulfonamide,4-amino-N-2-benzothiazolyl- is 6138-01-8. This chemical is also named as Sulfabenzothiazole. In addition, its molecular formula is C13H11N3O2S2 and molecular weight is 305.3753. Its systematic name is called 4-amino-N-(1,3-benzothiazol-2-yl)benzenesulfonamide.

Physical properties about Benzenesulfonamide,4-amino-N-2-benzothiazolyl- are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.756; (7)Molar Refractivity: 81.04 cm3; (8)Molar Volume: 197.6 cm3; (9)Surface Tension: 84.1 dyne/cm; (10)Density: 1.545 g/cm3; (11)Flash Point: 278.1 °C; (12)Enthalpy of Vaporization: 81.28 kJ/mol; (13)Boiling Point: 536.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)Nc2nc3ccccc3s2
(2)InChI: InChI=1/C13H11N3O2S2/c14-9-5-7-10(8-6-9)20(17,18)16-13-15-11-3-1-2-4-12(11)19-13/h1-8H,14H2,(H,15,16)
(3)InChIKey: BLEXKHFCGBOLFZ-UHFFFAOYAS

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