AG00DADP

474966-97-7 | 6-BROMO-2-(METHYLTHIO)BENZO[D]THIAZOLE

AG00DADP

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CAS Number	474966-97-7
Catalog Number	AG00DADP(AGN-PC-0WABST)
Chemical Name	6-BROMO-2-(METHYLTHIO)BENZO[D]THIAZOLE
IUPAC Name	6-bromo-2-methylsulfanyl-1,3-benzothiazole
InChI	InChI=1S/C8H6BrNS2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3
InChI Key	HTHXCBXPHYBLOQ-UHFFFAOYSA-N
MDL Number	MFCD15143559
Molecular Formula	C8H6BrNS2
Molecular Weight	260.1739
SMILES	CSC1=NC2=CC=C(Br)C=C2S1
Synonyms	474966-97-7, 6-Bromo-2-(methylthio)benzo[d]thiazole, 6-Bromo-2-(methylthio)benzothiazole, 6-Bromo-2-(methylsulfanyl)-1,3-benzothiazole, ACMC-209k9i, SCHEMBL1622148, CTK4J0040, DTXSID90591715, HTHXCBXPHYBLOQ-UHFFFAOYSA-N, ANW-30532, MFCD15143559, ZINC65337113, AKOS005264332, FCH1388368, Benzothiazole, 6-bromo-2-(methylthio)-, AK-90776, 6-bromo-2-(methylthio)-1,3-benzothiazole, AJ-115002, AX8229449, TR-036842, ST24024269, V6094, B-2615, I01-11242, C8H6BrNS2, 6-bromo-2-methylsulfanyl-benzothiazole,

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

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