AG00C0K8

40516-57-2 | 5-CHLOROMETHYL-2-ISOPROPYL-THIAZOLE

AG00C0K8

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CAS Number	40516-57-2
Catalog Number	AG00C0K8(AGN-PC-07A1U6)
Chemical Name	5-CHLOROMETHYL-2-ISOPROPYL-THIAZOLE
IUPAC Name	4-(chloromethyl)-2-propan-2-yl-1,3-thiazole
InChI	InChI=1S/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3
InChI Key	YGTDRZIMYRYHHD-UHFFFAOYSA-N
MDL Number	MFCD06660126
Molecular Formula	C7H10ClNS
Molecular Weight	175.6790
SMILES	CC(C)C1=NC(CCl)=CS1
Synonyms	4-(Chloromethyl)-2-isopropylthiazole, 40516-57-2, 4-(chloromethyl)-2-isopropyl-1,3-thiazole, 4-chloromethyl-2-isopropylthiazole, 4-(chloromethyl)-2-propan-2-yl-1,3-thiazole, MFCD06660126, ACMC-209jex, AC1MC7XQ, AC1Q1OWX, SCHEMBL210964, CTK4I3255, 4-(CHLOROMETHYL)-2-(PROPAN-2-YL)-1,3-THIAZOLE, DTXSID90376802, YGTDRZIMYRYHHD-UHFFFAOYSA-N, ZINC4198758, ANW-29431, 2-Isopropyl-4-(chloromethyl)thiazole, AKOS009303615, 4-(Chloromethyl)-2-isopropyl-thiazole, AB26696, RP02938, 4-chloromethyl-2-isopropyl-1,3-thiazole, AJ-48250, AS-45761, BL004419, CJ-11364, 5-CHLOROMETHYL-2-ISOPROPYL-THIAZOLE, AB0038078, C2078M500, DB-028472, ST2418011, TR-038782, FT-0685288, V5796, Y5426, EN300-39380, K-8647, Thiazole, 4-(chloromethyl)-2-(1-methylethyl)-, J-513691, C7H10ClNS, ZINC04198758, CID2763193,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.674g/mol
Monoisotopic Mass	175.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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