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| CAS No.: | 103694-26-4 |
|---|---|
| Name: | C-(2-METHYL-THIAZOL-4-YL)-METHYLAMINE |
| Molecular Structure: | |
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|
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| Formula: | C5H8N2S |
| Molecular Weight: | 128.198 |
| Synonyms: | [(2-Methyl-1,3-thiazol-4-yl)methyl]amine;[(2-Methylthiazol-4-yl)methyl]amine;(2-Methylthiazol-4-yl)methanamine;4-(Aminomethyl)-2-methylthiazole;Thiazole,4-(aminomethyl)-2-methyl- (6CI);C-(2-Methylthiazol-4-yl)methylamine; |
| Density: | 1.182 g/cm3 |
| Boiling Point: | 221.4 °C at 760 mmHg |
| Flash Point: | 87.7 °C |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | C,Xi:Corrosive; ">  C,Xi:Corrosive; |
| PSA: | 67.15000 |
| LogP: | 1.61050 |
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Specification
The 4-Thiazolemethanamine,2-methyl-, with the CAS registry number 103694-26-4, is also known as 2-Methyl-1,3-thiazole-4-methylamine. It belongs to the product categories of Aminomethyl's; Thiazoles, Isothiazoles &Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles. This chemical's molecular formula is C5H8N2S and molecular weight is 128.20. What's more, its IUPAC name is (2-Methyl-1,3-thiazol-4-yl)methanamine.
Physical properties of 4-Thiazolemethanamine,2-methyl- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 9.95; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 67.15 Å2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 36 cm3; (12)Molar Volume: 108.3 cm3; (13)Polarizability: 14.27×10-24 cm3; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.182 g/cm3; (16)Flash Point: 87.7 °C; (17)Enthalpy of Vaporization: 45.79 kJ/mol; (18)Boiling Point: 221.4 °C at 760 mmHg; (19)Vapour Pressure: 0.107 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=CS1)CN
(2)InChI: InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
(3)InChIKey: ZCKAEFOHSOQKHN-UHFFFAOYSA-N