5-Chloromethyl-2-isopropyl-thiazole supplier

Name
5-Chloromethyl-2-isopropyl-thiazole
EINECS
CAS No. 40516-57-2
Article Data7
CAS DataBase
Density 1.171 g/cm³
Solubility
Melting Point
Formula C₇H₁₀ClNS
Boiling Point 235.8 °C at 760 mmHg
Molecular Weight 175.68
Flash Point 96.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Chloromethyl)-2-isopropyl-1,3-thiazole;Thiazole,4-(chloromethyl)-2-(1-methylethyl)-;
PSA 41.13000
LogP 3.00530

5-Chloromethyl-2-isopropyl-thiazole Specification

The 5-Chloromethyl-2-isopropyl-thiazole with CAS registry number of 40516-57-2 is also called Thiazole,4-(chloromethyl)-2-(1-methylethyl)-. The IUPAC name is 4-(Chloromethyl)-2-propan-2-yl-1,3-thiazole. In addition, the formula is C₇H₁₀ClNS and the molecular weight is 175.68.

Physical properties about this chemical are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.12; (6)ACD/BCF (pH 7.4): 30.15; (7)ACD/KOC (pH 5.5): 398.1; (8)ACD/KOC (pH 7.4): 398.55; (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: 1.535; (14)Molar Refractivity: 46.67 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 18.5 ×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 96.4 °C; (20)Enthalpy of Vaporization: 45.34 kJ/mol; (21)Boiling Point: 235.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0752 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(sc1)C(C)C
(2)InChI: InChI=1/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3
(3)InChIKey: YGTDRZIMYRYHHD-UHFFFAOYAL

Product Name

5-Chloromethyl-2-isopropyl-thiazole

5-Chloromethyl-2-isopropyl-thiazole Specification

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