2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one - CAS 21599-35-9

Catalog:	BB016998
Product Name:	2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one
CAS:	21599-35-9
Synonyms:	2-(methylthio)-7,8-dihydro-6H-quinazolin-5-one; 2-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one
Description:	2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one (CAS# 21599-35-9) is a useful research chemical.
Molecular Weight:	194.25
Molecular Formula:	C9H10N2OS
Canonical SMILES:	CSC1=NC=C2C(=N1)CCCC2=O
InChI:	InChI=1S/C9H10N2OS/c1-13-9-10-5-6-7(11-9)3-2-4-8(6)12/h5H,2-4H2,1H3
InChI Key:	CBDXJNWTFCTGSP-UHFFFAOYSA-N
LogP:	1.71750

Publication Number	Title	Priority Date
WO-2021146543-A1	Inhibitors of glucose-6-phosphate dehydrogenase and uses thereof	20200115
CN-108484606-B	Pyrimido [4,5-f ] quinazoline compound and application thereof	20180316
AU-2009335016-A1	Substituted pyrazolo [3, 4-b] pyridine compounds	20081230
CA-2748276-A1	Substituted pyrazolo [3, 4-b] pyridine compounds	20081230
EP-2379551-A1	Substituted pyrazolo [3, 4-b]pyridine compounds	20081230

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Related Functional Groups

Quinazolines

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N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[58421-80-0]
4-Chloro-8-methylquinazoline

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05138412
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.05138412
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2