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CAS No.: | 131774-72-6 |
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Name: | 3-Hydrazinobenzenesulfonamide |
Molecular Structure: | |
Formula: | C6H9N3O2S |
Molecular Weight: | 187.222 |
Synonyms: | Benzenesulfonamide,3-hydrazino- (9CI); |
Density: | 1.498g/cm3 |
Boiling Point: | 452.611 °C at 760 mmHg |
Flash Point: | 227.531 °C |
PSA: | 106.59000 |
LogP: | 2.17400 |
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The 3-Hydrazinobenzenesulfonamide, with cas registry number 131774-72-6, belongs to the following product categories: SULFONAMIDE. Its systematic name and its IUPAC name are the same, which is 3-hydrazinylbenzenesulfonamide. Besides this, it is also called benzenesulfonamide, 3-hydrazinyl-.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.762; (5)ACD/KOC (pH 7.4): 17.606; (6)#H bond acceptors: 5; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 106.59 Å2; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 46.461 cm3; (12)Molar Volume: 125.009 cm3; (13)Polarizability: 18.418×10-24cm3; (14)Surface Tension: 76.095 dyne/cm; (15)Enthalpy of Vaporization: 71.187 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)S(=O)(=O)N)NN
(2)InChI: InChI=1/C6H9N3O2S/c7-9-5-2-1-3-6(4-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
(3)InChIKey: QWQDXEPJHSJIQN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H9N3O2S/c7-9-5-2-1-3-6(4-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
(5)Std. InChIKey: QWQDXEPJHSJIQN-UHFFFAOYSA-N