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| CAS No.: | 120740-08-1 |
|---|---|
| Name: | 2-chloro-5-aminomethylthiazole |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H5ClN2S |
| Molecular Weight: | 148.616 |
| Synonyms: | 2-Chloro-5-(aminomethyl)thiazole;2-Chloro-5-thiazolemethylamine;5-(Aminomethyl)-2-chlorothiazole;(2-Chloro-5-thiazolyl)methylamine;1-(2-Chloro-1,3-thiazol-5-yl)methanamine;5-thiazolemethanamine, 2-chloro-; |
| Density: | 1.428 g/cm3 |
| Melting Point: | 121 °C |
| Boiling Point: | 274.75 °C at 760 mmHg |
| Flash Point: | 119.965 °C |
| PSA: | 67.15000 |
| LogP: | 1.95550 |
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Specification
The 5-Thiazolemethanamine,2-chloro-, with the CAS registry number 120740-08-1, has the systematic name of 1-(2-chloro-1,3-thiazol-5-yl)methanamine. It belongs to the product category of Thiazole. And the molecular formula of the chemical is C4H5ClN2S.
The characteristics of 5-Thiazolemethanamine,2-chloro- are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 67.15 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 36.075 cm3; (9)Molar Volume: 104.075 cm3; (10)Polarizability: 14.301×10-24cm3; (11)Surface Tension: 57.262 dyne/cm; (12)Density: 1.428 g/cm3; (13)Flash Point: 119.965 °C; (14)Enthalpy of Vaporization: 51.316 kJ/mol; (15)Boiling Point: 274.75 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ncc(s1)CN
(2)InChI: InChI=1/C4H5ClN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2
(3)InChIKey: KCDQBIMJBRASQE-UHFFFAOYAM