AG008V3R

1086382-46-8 | 5-bromo-2-isopropyl-1,3-thiazole

AG008V3R

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CAS Number	1086382-46-8
Catalog Number	AG008V3R(AGN-PC-0WB5T4)
Chemical Name	5-bromo-2-isopropyl-1,3-thiazole
IUPAC Name	5-bromo-2-propan-2-yl-1,3-thiazole
InChI	InChI=1S/C6H8BrNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChI Key	HQGOGXRYNVVXBY-UHFFFAOYSA-N
MDL Number	MFCD11223413
Molecular Formula	C6H8BrNS
Molecular Weight	206.1034
SMILES	BrC1=CN=C(S1)C(C)C
Synonyms	5-Bromo-2-isopropylthiazole, 1086382-46-8, 5-BROMO-2-(PROPAN-2-YL)-1,3-THIAZOLE, 5-BROMO-2-ISOPROPYL-1,3-THIAZOLE, 5-BROMO-2-(ISO-PROPYL)THIAZOLE, SCHEMBL9906374, HQGOGXRYNVVXBY-UHFFFAOYSA-N, CS-B1744, MFCD11223413, STL453422, ZINC44119620, AKOS015945328, MB09628, MCULE-3430063900, Thiazole, 5-bromo-2-(1-methylethyl)-, AS-54160, AJ-109211, 5-bromo-2-isopropyl-1,3-thiazole(SALTDATA, Y-6718,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.956g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.101g/mol
Monoisotopic Mass	204.956g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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