Quinazoline-4-thiol

CAT: 0024-sc-280049Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280049Size:250 mg

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CAS Number

3337-86-8

Chemical Information

4-Quinazolinethiol

CAS Number	3337-86-8
PubChem CID	736090
IUPAC Name	1H-quinazoline-4-thione
Molecular Formula	C8H6N2S
Molecular Weight	162.21
XLogP	1.4
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	200

SMILES

C1=CC=C2C(=C1)C(=S)N=CN2

InChI

InChI=1S/C8H6N2S/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

InChIKey

TWWNPUZQYVWXJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3337-86-8

CID: 736090

Formula: C8H6N2S

MW: 162.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.21
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	162.02516937
Monoisotopic Mass	162.02516937
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-348359A	4- (methylamino) quinazoline-2-thiol
sc-348359	4- (methylamino) quinazoline-2-thiol
sc-348497	4-[ (2-chlorophenyl) amino]quinazoline-2-thiol
sc-348497A	4-[ (2-chlorophenyl) amino]quinazoline-2-thiol
sc-278735	Benzo[4,5]imidazo[1,2-c]quinazoline-6-thiol
sc-323222	4-Methyl-5,6,7,8-tetrahydro-quinazoline-2-thiol
sc-336526	4-Trifluoromethyl-5,6,7,8-tetrahydro-quinazoline-2-thiol
sc-343067	2-methyl[1,2,4]triazolo[1,5-c]quinazoline-5-thiol
sc-343067A	2-methyl[1,2,4]triazolo[1,5-c]quinazoline-5-thiol
sc-358015	8- (Trifluoromethyl) quinoline-4-thiol

Catalog	Name
OR953937	Quinazoline-4-thiol
KBA98223-01	2- (Trifluoromethyl) quinazoline-4-thiol
XFA40862-01	4- (Ethylamino) quinazoline-2-thiol
AEA52750-01	2- (4-Bromophenyl) quinazoline-4-thiol
TAA59068-01	2- (Thiophen-2-yl) quinazoline-4-thiol
JBD31760-01	5-Chloro-2- (2-methylphenyl) quinazoline-4-thiol
FDD51934-01	7-Methoxy-2- (2-methylphenyl) quinazoline-4-thiol
JBD30509-01	7-Fluoro-2- (2-methylphenyl) quinazoline-4-thiol
OR310714-01	1'H-Spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
OR310715-01	1'H-Spiro[cyclohexane-1,2'-quinazoline]-4'-thiol