2-Methyl-4- (methylthio) quinoline

CAT: 0127-OR1067832-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067832-01Size:50 mg

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CAS Number

36063-25-9

MDL Number

MFCD00829026

Purity

98%

Smiles

CSC1=CC(C)=NC2=CC=CC=C12

Chemical Information

2-Methyl-4-(methylthio)quinoline

2-Methyl-4-(methylthio)quinoline is a member of quinolines.

CAS Number	36063-25-9
PubChem CID	2801398
IUPAC Name	2-methyl-4-methylsulfanylquinoline
Molecular Formula	C11H11NS
Molecular Weight	189.28
XLogP	3.4
Topological Polar Surface Area	38.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	171

SMILES

CC1=NC2=CC=CC=C2C(=C1)SC

InChI

InChI=1S/C11H11NS/c1-8-7-11(13-2)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3

InChIKey

NVZABOHNOFBOGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36063-25-9

CID: 2801398

Formula: C11H11NS

MW: 189.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.28
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.06122053
Monoisotopic Mass	189.06122053
Topological Polar Surface Area	38.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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
OR1094525-01	2-Methyl-6- (methylthio) quinoline
OR1056037-01	4- (Methylthio) quinoline
OR1058347-01	2- (Methylthio) quinoline
OR27366	2- (methylthio) quinoline-3-carboxaldehyde
OR1063894-01	8- (Methylthio) quinoline
OR1092637-01	3- (methylthio) quinoline
OR1093214	3-Bromo-2- (methylthio) quinoline
OR1100626-01	2-chloro-3- (methylthio) quinoline
OR1080926-01	2-methyl-4- (methylthio) benzonitrile
OR1095161-01	2-methyl-4- (methylthio) thiophene

Catalog	Name
GTR19252437-01	Quinoline, 2-methyl-4- (methylthio) -
sc-358207A	Ethyl 4,6-dichloro-2- (methylthio) quinoline-3-carboxylate
sc-341723A	2-chloro-3- (chloromethyl) -7- (methylthio) quinoline
YCA42044-01	6- (Methylthio) quinoline
TRC-C587370-2.5G	2-Chloro-4-methyl-quinoline
418735-01	2-Methyl-4- (chloromethyl) quinoline
sc-277517	4-Methyl-quinoline-2-thiol
433079-01	4-Methyl-2- (methylthio) pyrimidine
71868-10-5	2-Methyl-4'- (methylthio) -2-morpholinopropiophenone
161485	4-Methyl-2- (1-piperidinyl) -quinoline