AG007H87

34170-21-3 | 2-(Methylthio)-5,6,7,8-tetrahydroquinazolin-4(3H)-one

AG007H87

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CAS Number	34170-21-3
Catalog Number	AG007H87(AGN-PC-0WA5CK)
Chemical Name	2-(Methylthio)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
IUPAC Name	2-methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
InChI	InChI=1S/C9H12N2OS/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H2,1H3,(H,10,11,12)
InChI Key	UCIOWMDHSRPCFY-UHFFFAOYSA-N
MDL Number	MFCD00223564
Molecular Formula	C9H12N2OS
Molecular Weight	196.2694
SMILES	O=C1NC(SC)=NC2=C1CCCC2
Synonyms	2-(Methylthio)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, 34170-21-3, AK107623, 2-(methylsulfanyl)-5,6,7,8-tetrahydro-4-quinazolinol, 2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-ol, 2-methylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one, 2-Methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one, 2-(methylsulfanyl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, UCIOWMDHSRPCFY-UHFFFAOYSA-N, AC1LRZYU, SMR000126613, MLS000544856, SCHEMBL9878956, CHEMBL1601500, CTK8C3834, KS-00000QRS, DTXSID80363185, HMS2326K16, ANW-70620, FCH926102, MFCD00223564, STK627144, ZINC18182127, AKOS005560102, AKOS006332741, 5N-376S, AN-2792, DS-2588, FS-3709, MCULE-7638287190, MP-1191, AJ-70430, AB0069179, AX8240609, 4CH-012132, Z4619, AS-871/15578596, 2-(methylthio)-5,6,7,8-tetrahydroquinazolin-4-ol, I14-12809, 2-(methylsulfanyl)-5,6,7,8-tetrahydro-4(3H)-quinazolinone, C9H12N2OS, CID1480190,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.067g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.268g/mol
Monoisotopic Mass	196.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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