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Name |
2-Thiazolamine,4-(4-methoxyphenyl)-5-methyl- |
EINECS | N/A |
CAS No. | 105512-88-7 | Density | 1.223 g/cm3 |
PSA | 76.38000 | LogP | 3.29050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12N2OS | Boiling Point | 384.9 °C at 760 mmHg |
Molecular Weight | 220.295 | Flash Point | 186.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2(3H)-imine;4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine; |
Article Data | 4 |
The 2-Thiazolamine,4-(4-methoxyphenyl)-5-methyl- is an organic compound with the formula C11H12N2OS. The IUPAC name of this chemical is 4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine. With the CAS registry number 105512-88-7, it is also named as 4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2(3H)-imine. Besides, its molecular weight is 220.29.
The physical properties of 2-Thiazolamine,4-(4-methoxyphenyl)-5-methyl- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 8.45; (5)ACD/BCF (pH 7.4): 38.32; (6)ACD/KOC (pH 5.5): 102.94; (7)ACD/KOC (pH 7.4): 466.99; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.6 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 63.05 cm3; (14)Molar Volume: 179.9 cm3; (15)Polarizability: 24.99×10-24 cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.223 g/cm3; (18)Flash Point: 186.6 °C; (19)Enthalpy of Vaporization: 63.37 kJ/mol; (20)Boiling Point: 384.9 °C at 760 mmHg; (21)Vapour Pressure: 3.95E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccc(OC)cc1)c(sc2N)C
(2)InChI: InChI=1/C11H12N2OS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H2,12,13)
(3)InChIKey: WUTXFLYFZOMYSF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H12N2OS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H2,12,13)
(5)Std. InChIKey: WUTXFLYFZOMYSF-UHFFFAOYSA-N