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CAS No.: | 609-55-2 |
---|---|
Name: | 2-amino-5-methylbenzenesulfonamide |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H10N2O2S |
Molecular Weight: | 186.235 |
Synonyms: | m-Toluenesulfonamide,6-amino- (8CI);2-Amino-5-methylbenzenesulfonamide;NSC 57677; |
Density: | 1.359 g/cm3 |
Melting Point: | 118-120oC |
Boiling Point: | 403.8 °C at 760 mmHg |
Flash Point: | 198 °C |
Appearance: | white or offwhite powder |
PSA: | 94.56000 |
LogP: | 2.58690 |
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The Benzenesulfonamide,2-amino-5-methyl-, with CAS registry number 609-55-2, belongs to the following product category: Sulfonamide. It has the systematic name of 2-amino-5-methylbenzenesulfonamide. And the chemical formula of this chemical is C7H10N2O2S.
Physical properties of Benzenesulfonamide,2-amino-5-methyl-: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.95; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 56.11; (8)ACD/KOC (pH 7.4): 56.07; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 47.43 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 18.8×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 65.51 kJ/mol; (21)Boiling Point: 403.8 °C at 760 mmHg; (22)Vapour Pressure: 9.92E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(ccc1N)C)N
(2)InChI: InChI=1/C7H10N2O2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
(3)InChIKey: GKTVIFGJASUBGA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
(5)Std. InChIKey: GKTVIFGJASUBGA-UHFFFAOYSA-N