AG0028V6

203395-29-3 | 5-Bromo-2-(methylthio)benzothiazole

AG0028V6

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CAS Number	203395-29-3
Catalog Number	AG0028V6(AGN-PC-0KLBO8)
Chemical Name	5-Bromo-2-(methylthio)benzothiazole
IUPAC Name	5-bromo-2-methylsulfanyl-1,3-benzothiazole
InChI	InChI=1S/C8H6BrNS2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3
InChI Key	PSMLEPVOELTZAZ-UHFFFAOYSA-N
MDL Number	MFCD01935107
Molecular Formula	C8H6BrNS2
Molecular Weight	260.1739
SMILES	CSC1=NC2=CC(Br)=CC=C2S1
Synonyms	203395-29-3, 5-Bromo-2-(methylthio)benzo[d]thiazole, 5-Bromo-2-(methylthio)benzothiazole, Benzothiazole, 5-bromo-2-(methylthio)-, AC1MCUXS, ACMC-209f8x, SCHEMBL3468909, CTK4E3966, DTXSID90384225, PSMLEPVOELTZAZ-UHFFFAOYSA-N, ZINC1046988, ANW-24031, MFCD01935107, AKOS015834696, FCH1333802, MCULE-8808107790, AJ-24805, AK-90775, CJ-04694, DS-17086, 5-bromo-2-(methylthio)-1,3-benzothiazole, 5-bromo-2-methylsulfanyl-1,3-benzothiazole, AX8229448, TR-036105, ST24023901, V4201, B-7751, I01-11175, C8H6BrNS2, ZINC01046988, CID2801271,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.913g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.167g/mol
Monoisotopic Mass	258.913g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number