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CAS No.: | 20896-44-0 |
---|---|
Name: | 2,5-diaminobenzene sulfonamide |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H9N3O2S |
Molecular Weight: | 187.222 |
Synonyms: | 2,5-Diaminobenzenesulfonamide; |
Density: | 1.523 g/cm3 |
Boiling Point: | 483.14 °C at 760 mmHg |
Flash Point: | 245.994 °C |
PSA: | 120.58000 |
LogP: | 2.44190 |
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The CAS registry number of Benzenesulfonamide,2,5-diamino- is 20896-44-0. In addition, its molecular formula is C6H9N3O2S and molecular weight is 187.2196. Its systematic name is called 2,5-Diaminobenzenesulfonamide.
Physical properties about Benzenesulfonamide,2,5-diamino- are: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 5; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.679; (11)Molar Refractivity: 46.426 cm3; (12)Molar Volume: 122.942 cm3; (13)Surface Tension: 81.069 dyne/cm; (14)Density: 1.523 g/cm3; (15)Flash Point: 245.994 °C; (16)Enthalpy of Vaporization: 74.818 kJ/mol; (17)Boiling Point: 483.14 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(N)(=O)c1cc(N)ccc1N
(2)InChI: InChI=1/C6H9N3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
(3)InChIKey: HFXFYWMYAYUJAA-UHFFFAOYAE