Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-5-(2-chloroethyl)-4-methylthiazole |
EINECS | N/A |
CAS No. | 31299-91-9 | Density | 1.356 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7Cl2NS | Boiling Point | 301.173 °C at 760 mmHg |
Molecular Weight | 196.1 | Flash Point | 135.945 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-5-(2-chloroethyl)-4-methyl-1,3-thiazole;Thiazole,2-chloro-5-(2-chloroethyl)-4-methyl-; |
Article Data | 2 |
The 2-Chloro-5-(2-chloroethyl)-4-methylthiazole, with the CAS registry number 31299-91-9, is also known as Thiazole,2-chloro-5-(2-chloroethyl)-4-methyl-. This chemical's molecular formula is C6H7Cl2NS and molecular weight is 196.10. What's more, its systematic name is 2-Chloro-5-(2-chloroethyl)-4-methyl-1,3-thiazole. Its classification code is Drug / Therapeutic Agent.
Physical properties of 2-Chloro-5-(2-chloroethyl)-4-methylthiazole are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.75; (6)ACD/BCF (pH 7.4): 54.75; (7)ACD/KOC (pH 5.5): 610.83; (8)ACD/KOC (pH 7.4): 610.90; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 46.847 cm3; (15)Molar Volume: 144.564 cm3; (16)Polarizability: 18.572×10-24cm3; (17)Surface Tension: 44.38 dyne/cm; (18)Density: 1.356 g/cm3; (19)Flash Point: 135.945 °C; (20)Enthalpy of Vaporization: 51.965 kJ/mol; (21)Boiling Point: 301.173 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(c(s1)CCCl)C
(2)Std. InChI: InChI=1S/C6H7Cl2NS/c1-4-5(2-3-7)10-6(8)9-4/h2-3H2,1H3
(3)Std. InChIKey: QOCBYUYXAYWNIW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 200mg/kg (200mg/kg) | Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971. |