AG00DADH

51933-77-8 | 3-Bromo-2-(methylthio)pyridine

AG00DADH

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CAS Number	51933-77-8
Catalog Number	AG00DADH(AGN-PC-0NJB33)
Chemical Name	3-Bromo-2-(methylthio)pyridine
IUPAC Name	3-bromo-2-methylsulfanylpyridine
InChI	InChI=1S/C6H6BrNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChI Key	UZRUCGBRGXJVHQ-UHFFFAOYSA-N
MDL Number	MFCD12964310
Molecular Formula	C6H6BrNS
Molecular Weight	204.0875
SMILES	CSC1=C(Br)C=CC=N1
Synonyms	3-Bromo-2-(methylthio)pyridine, 51933-77-8, 3-bromo-2-methylsulfanyl-pyridine, 3-BROMO-2-(METHYLSULFANYL)PYRIDINE, ACMC-209kwo, SCHEMBL2983304, 2-(Methylthio)-3-bromopyridine, CTK4J5137, DTXSID80501580, UZRUCGBRGXJVHQ-UHFFFAOYSA-N, ANW-31366, MFCD12964310, ZINC42376577, AKOS010633075, CJ-20305, AJ-104228, TR-036956, 3-Bromo-2-(methylthio)pyridine, AldrichCPR, V6364, K-9522, I02-3164, Z1231031033, C6H6BrNS,

Complexity	89.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.94g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.085g/mol
Monoisotopic Mass	202.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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