AG00HB6Z

1086385-16-1 | 6-Bromo-2-methylsulfanyl-quinazoline

AG00HB6Z

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CAS Number	1086385-16-1
Catalog Number	AG00HB6Z(AGN-PC-0WBRC6)
Chemical Name	6-Bromo-2-methylsulfanyl-quinazoline
IUPAC Name	6-bromo-2-methylsulfanylquinazoline
InChI	InChI=1S/C9H7BrN2S/c1-13-9-11-5-6-4-7(10)2-3-8(6)12-9/h2-5H,1H3
InChI Key	ULIDQRDTNWMJOS-UHFFFAOYSA-N
MDL Number	MFCD11521552
Molecular Formula	C9H7BrN2S
Molecular Weight	255.1343
SMILES	CSC1=NC=C2C=C(Br)C=CC2=N1
Synonyms	1086385-16-1, 6-Bromo-2-(methylthio)quinazoline, 6-bromo-2-(methylsulfanyl)quinazoline, 6-Bromo-2-(methylthio)-quinazoline, 6-Bromo-2-methylsulfanyl-quinazoline, SCHEMBL17652985, MFCD11521552, ZINC96372377, AKOS025290967, FCH1404556, SB11739, KS-000004H6, AK170994, AS-33998, CS-0050303, 6-Bromo-2-(methylthio)-quinazoline, AldrichCPR,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.951g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.133g/mol
Monoisotopic Mass	253.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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