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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 | Hazard Symbols | N/A | |
Synonyms |
Sulfanilamide,N1-2-benzothiazolyl- (7CI,8CI);NSC 41827;Sulfabenzothiazole; |
Article Data | 15 |
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