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CAS No.: | 383131-95-1 |
---|---|
Name: | 4-(4-METHANESULFONYL-PHENYL)-THIAZOL-2-YLAMINE |
Molecular Structure: | |
Formula: | C10H10N2O2S2 |
Molecular Weight: | 254.33 |
Synonyms: | [4-(4-Methylsulfonylphenyl)thiazol-2-yl]amine;2-Amino-4-[(4-methylsulfonyl)phenyl]-1,3-thiazole;4-[4-(Methylsulfonyl)phenyl]thiazol-2-amine; |
Density: | 1.401 g/cm3 |
Melting Point: | 254-256 °C |
Boiling Point: | 520.029 °C at 760 mmHg |
Flash Point: | 268.304 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36 |
PSA: | 109.67000 |
LogP: | 3.45780 |
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The 4-[4-(Methylsulfonyl)phenyl]thiazol-2-amine, with the CAS registry number 383131-95-1, is also known as 2-Amino-4-[(4-methylsulfonyl)phenyl]-1,3-thiazole. This chemical's molecular formula is C10H10N2O2S2 and molecular weight is 254.33. What's more, its systematic name is 4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-amine.
Physical properties of 4-[4-(Methylsulfonyl)phenyl]thiazol-2-amine are: (1)ACD/LogP: 1.466; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.60; (6)ACD/BCF (pH 7.4): 7.65; (7)ACD/KOC (pH 5.5): 148.27; (8)ACD/KOC (pH 7.4): 149.36; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 109.67 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 64.46 cm3; (15)Molar Volume: 181.479 cm3; (16)Polarizability: 25.554×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 268.304 °C; (20)Enthalpy of Vaporization: 79.292 kJ/mol; (21)Boiling Point: 520.029 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2ccc(c1nc(sc1)N)cc2)C
(2)Std. InChI: InChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)
(3)Std. InChIKey: VQEMDSRIOVZAOM-UHFFFAOYSA-N