AG001ZL4

174313-65-6 | 6-Bromo-2-(methylthio)-4(3H)-quinazolinone

AG001ZL4

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CAS Number	174313-65-6
Catalog Number	AG001ZL4(AGN-PC-0JU7Z7)
Chemical Name	6-Bromo-2-(methylthio)-4(3H)-quinazolinone
IUPAC Name	6-bromo-2-methylsulfanyl-3H-quinazolin-4-one
InChI	InChI=1S/C9H7BrN2OS/c1-14-9-11-7-3-2-5(10)4-6(7)8(13)12-9/h2-4H,1H3,(H,11,12,13)
InChI Key	SVBCWQRLMSLKSY-UHFFFAOYSA-N
MDL Number	MFCD27946140
Molecular Formula	C9H7BrN2OS
Molecular Weight	271.1337
SMILES	CSC1=NC2=C(C=C(Br)C=C2)C(=O)N1
Synonyms	174313-65-6, 6-bromo-2-(methylthio)quinazolin-4(3H)-one, 6-Bromo-2-(methylthio)-4(3H)-quinazolinone, 6-bromo-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one, 4(3H)-quinazolinone, 6-bromo-2-(methylthio)-, 6-bromo-2-methylsulfanyl-3H-quinazolin-4-one, 6-bromo-2-(methylthio)-quinazolin-4-ol, AC1LD40B, SCHEMBL1396365, SVBCWQRLMSLKSY-UHFFFAOYSA-N, MFCD27946140, ZINC32302368, AKOS025290968, SB11742, KS-000004H8, AS-33999, 6-bromo-2-(methylsulfanyl)quinazolin-4-ol, CS-0050304, 2-(Methylthio)-6-bromoquinazolin-4(3H)-one, 6-bromo-2-methylsulfanyl-1H-quinazolin-4-one, 6-Bromo-2-(methylsulfanyl)quinazolin-4(3H)-one, 6-Bromo-2-(methylthio)-4(3H)-quinazolinone, AldrichCPR, InChI=1/C9H7BrN2OS/c1-14-9-11-7-3-2-5(10)4-6(7)8(13)12-9/h2-4H,1H3,(H,11,12,13, CID641977,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.946g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	271.132g/mol
Monoisotopic Mass	269.946g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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