AG0029K1

204513-62-2 | Thiazole, 4-bromo-2-(methylthio)-

AG0029K1

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CAS Number	204513-62-2
Catalog Number	AG0029K1(AGN-PC-00Z4VX)
Chemical Name	Thiazole, 4-bromo-2-(methylthio)-
IUPAC Name	4-bromo-2-methylsulfanyl-1,3-thiazole
InChI	InChI=1S/C4H4BrNS2/c1-7-4-6-3(5)2-8-4/h2H,1H3
InChI Key	YGCKEBOZMZSIDW-UHFFFAOYSA-N
MDL Number	MFCD07787376
Molecular Formula	C4H4BrNS2
Molecular Weight	210.1153
SMILES	CSC1=NC(Br)=CS1
Synonyms	4-bromo-2-(methylthio)thiazole, 204513-62-2, 2-Thiomethyl-4-bromothiazole, 4-bromo-2-(methylthio)-1,3-thiazole, 4-bromo-2-(methylsulfanyl)-1,3-thiazole, 4-Bromo-2-(thiomethyl)thiazole, MFCD07787376, C4H4BrNS2, SCHEMBL2560538, 2-(Methylthio)-4-bromothiazole, CTK7B5300, DTXSID80586014, YGCKEBOZMZSIDW-UHFFFAOYSA-N, 4-Bromo-2-methylsulfanyl-thiazole, KS-00002A1V, Thiazole, 4-bromo-2-(methylthio)-, ZINC15021574, AKOS015834988, PS-3841, RP04727, T2262G1, 4-bromo-2-methylsulfanyl-1,3-thiazole, 4-Bromo-2-(methylsulphanyl)-1,3-thiazole, DB-066212, CS-0037488, FT-0685309, Y8174, K-5968, W-206516,

Complexity	80.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.897g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.107g/mol
Monoisotopic Mass	208.897g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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