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20896-44-0

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Basic Information
CAS No.: 20896-44-0
Name: 2,5-diaminobenzene sulfonamide
Article Data: 18
Molecular Structure:
Molecular Structure of 20896-44-0 (2,5-diaminobenzene sulfonamide)
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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Specification

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