2-Chloro-5- (methylthio) pyridine

CAT: 0926-RBA28894-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA28894-01Size:50 mg

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CAS Number

41288-94-2

MDL Number

MFCD22393873

Smiles

CSC1=CN=C (C=C1) Cl

Molecular Formula

C6H6ClNS

Molecular Weight

159.64 g/mol

Controlled

Chemical Information

2-Chloro-5-(methylthio)pyridine

CAS Number	41288-94-2
PubChem CID	23436923
IUPAC Name	2-chloro-5-methylsulfanylpyridine
Molecular Formula	C6H6ClNS
Molecular Weight	159.64
XLogP	2.3
Topological Polar Surface Area	38.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	89

SMILES

CSC1=CN=C(C=C1)Cl

InChI

InChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3

InChIKey

GKQDGTBDVTVIDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41288-94-2

CID: 23436923

Formula: C6H6ClNS

MW: 159.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.64
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	158.9909481
Monoisotopic Mass	158.9909481
Topological Polar Surface Area	38.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	89.1
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
WCA50683-01	2-Chloro-4- (methylthio) pyridine
QEA58136	2-chloro-5- (methylthio) pyrimidine
CDA61899-01	2-Amino-5- (methylthio) pyridine
FC139413-01	4-Chloro-2- (methylthio) pyrimidine-5-carbonitrile
LEA07919-01	4-Chloro-5-iodo-2- (methylthio) pyrimidine
YFA25682-01	4-Chloro-2- (methylthio) pyrimidine-5-carbaldehyde
YEA06147-01	5-Chloro-2- (methylthio) -4- (tributylstannyl) pyrimidine
DAA14577	2- ((Methylthio) methyl) pyridine
BCA54612	2-Chloro-5- (methylthio) benzoic acid
YCA40695-01	2-Chloro-5-phenoxy-pyridine

Catalog	Name
OR1058456-01	2-Chloro-5- (methylthio) pyridine
sc-335151	2-chloro-5-[ (methylthio) methyl]pyridine
OR1095337	3-Chloro-5- (methylthio) pyridine
OR1086050-01	2-chloro-5-methyl-3- (methylthio) pyridine
OR1084559-01	2-Chloro-5-methyl-4- (methylthio) pyridine
OR1095920	5-bromo-3-chloro-2- (methylthio) pyridine
OR1090769-01	2-chloro-5- (methoxymethoxy) -4- (methylthio) pyridine
OR1090737-01	5-chloro-4-methyl-2- (methylthio) pyridine
OR1090561-01	5-chloro-2,4-bis (methylthio) pyridine
PC300580-01	3-Chloro-2- (methylthio) -5- (trifluoromethyl) pyridine