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CAS No.: | 3364-78-1 |
---|---|
Name: | 2-Chloromethyl-thiazole |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C4H4ClNS |
Molecular Weight: | 133.601 |
Synonyms: | 2-(Chloromethyl)-1,3-thiazole;2-(Chloromethyl)thiazole; |
Density: | 1.338 g/cm3 |
Boiling Point: | 181.589 °C at 760 mmHg |
Flash Point: | 63.623 °C |
PSA: | 41.13000 |
LogP: | 1.88190 |
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The Thiazole,2-(chloromethyl)- is an organic compound with the fomular C4H4ClNS. The IUPAC name of this chemical is 2-(chloromethyl)-1,3-thiazole. With the CAS registry number 3364-78-1, it is also named as 2-(chloromethyl)thiazole. The product's categorie is thiazoles. This chemical must be stored at normal temperature and avoid direct sunshine.
The other characteristics of Thiazole,2-(chloromethyl)- can be summarized as: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 127; (8)ACD/KOC (pH 7.4): 127; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 32.494 cm3; (14)Molar Volume: 99.832 cm3; (15)Polarizability: 12.882×10-24 cm3; (16)Surface Tension: 45.889 dyne/cm; (17)Enthalpy of Vaporization: 40.071 kJ/mol; (18)Vapour Pressure: 1.15 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 132.975298; (21)MonoIsotopic Mass: 132.975298; (22)Topological Polar Surface Area 41.1; (23)Heavy Atom Count: 7; (24)Complexity: 59.7.
People can use the following data to convert to the molecule structure.
1. SMILES: ClCc1nccs1;
2. InChI: InChI=1/C4H4ClNS/c5-3-4-6-1-2-7-4/h1-2H,3H2.