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3-Methyl-isothiazole-5-sulfonamide

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Name

3-Methyl-isothiazole-5-sulfonamide

EINECS N/A
CAS No. 1022128-99-9 Density 1.518 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C4H6N2O2S2 Boiling Point 264.9 °C at 760 mmHg
Molecular Weight 178.2326 Flash Point 114 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1022128-99-9 (3-Methyl-isothiazole-5-sulfonamide) Hazard Symbols N/A
Synonyms

3-Methylisothiazole-5-sulfonamide;

 

3-Methyl-isothiazole-5-sulfonamide Specification

The CAS registry number of 3-Methyl-isothiazole-5-sulfonamide is 1022128-99-9. This chemical's molecular formula is C4H6N2O2S2 and molecular weight is 178.2326. What's more, its systematic name is called 3-Methylisothiazole-5-sulfonamide.

Physical properties about 3-Methyl-isothiazole-5-sulfonamide are: (1)#of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 109.67 Å2; (6)Index of Refraction: 1.592; (7)Molar Refractivity: 39.75 cm3; (8)Molar Volume: 117.3 cm3; (9)Polarizability: 15.75×10-24 cm3; (10)Surface Tension: 63.8 dyne/cm; (11)Density: 1.518 g/cm3; (12)Flash Point: 114 °C; (13)Enthalpy of Vaporization: 50.28 kJ/mol; (14)Boiling Point: 264.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00944 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(sn1)S(=O)(=O)N
(2) InChI: InChI=1/C4H6N2O2S2/c1-3-2-4(9-6-3)10(5,7)8/h2H,1H3,(H2,5,7,8)
(3) InChIKey: RLSOEMFZACXWRY-UHFFFAOYAZ

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