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58768-75-5

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Basic Information
CAS No.: 58768-75-5
Name: 1H-Imidazole-4-sulfonamide(9CI)
Molecular Structure:
Molecular Structure of 58768-75-5 (1H-Imidazole-4-sulfonamide(9CI))
Formula: C3H5N3O2S
Molecular Weight: 147.1557
Synonyms: 1H-Imidazole-4-sulfonamide;
Density: 1.636 g/cm3
Boiling Point: 539.997 °C at 760 mmHg
Flash Point: 280.38 °C
PSA: 97.22000
LogP: 0.83820
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Specification

The 1H-Imidazole-4-sulfonamide (9CI) has CAS registry number 58768-75-5. It belongs to the product category of Sulfonamide. This chemical's molecular formula is C3H5N3O2S and molecular weight is 147.1557. What's more, its systematic name is called 1H-Imidazole-4-sulfonamide.

Physical properties about 1H-Imidazole-4-sulfonamide (9CI) are: (1)ACD/LogP: -1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 97.22 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 30.914 cm3; (13)Molar Volume: 89.928 cm3; (14)Surface Tension: 81.158 dyne/cm; (15)Density: 1.636 g/cm3; (16)Flash Point: 280.38 °C; (17)Enthalpy of Vaporization: 81.753 kJ/mol; (18)Boiling Point: 539.997 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NS(=O)(=O)c1cncn1
(2) InChI: InChI=1/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)
(3) InChIKey: JAURKIVAGLWIBP-UHFFFAOYAN