2-Bromo-5- (methylthio) pyridine

CAT: 0127-OR94734-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94734-01Size:100 mg

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CAS Number

134872-23-4

MDL Number

MFCD04974522

Purity

98%

Smiles

CSC1=CN=C(C=C1)Br

Chemical Information

2-Bromo-5-(methylthio)pyridine

CAS Number	134872-23-4
PubChem CID	11658494
IUPAC Name	2-bromo-5-methylsulfanylpyridine
Molecular Formula	C6H6BrNS
Molecular Weight	204.09
XLogP	2.4
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)Br

InChI

InChI=1S/C6H6BrNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3

InChIKey

IFMCOWPTUPYFCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134872-23-4

CID: 11658494

Formula: C6H6BrNS

MW: 204.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.09
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	202.94043
Monoisotopic Mass	202.94043
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
OR15634	5-Bromo-2- (methylthio) pyridine
OR1086324-01	5-bromo-2- (2- (methylthio) ethoxy) pyridine
OR3600-01	3-Bromo-5- (methylthio) pyridine
PC1001593-01	3-Bromo-2- (methylthio) -5- (trifluoromethyl) pyridine
OR300396-01	2-Bromo-5-methyl-3- (methylthio) pyridine
PC400175-01	2-Bromo-3-fluoro-5- (methylthio) pyridine
OR1099059-01	5-Bromo-3-methyl-2- (methylthio) pyridine
PC1025768-01	5-bromo-2-fluoro-3- (methylthio) pyridine
OR1095920	5-bromo-3-chloro-2- (methylthio) pyridine
PC1023478-01	5-bromo-3-fluoro-2- (methylthio) pyridine

Catalog	Name
sc-262429	5-Bromo-2- (methylthio) pyridine
sc-256470	3-Bromo-5- (methylthio) pyridine
424123-01	3-Bromo-2- (methylthio) -5- (trifluoromethyl) pyridine
ZCA13442	2-Bromo-6- (methylthio) pyridine
BCA93377	3-Bromo-2- (methylthio) pyridine
JKB86317-01	2-Bromo-3- (methylthio) pyridine
RBA28894-01	2-Chloro-5- (methylthio) pyridine
GTR19252332-01	Pyridine, 2- (methylthio) -5- (trifluoromethyl) -
sc-356322	2- (Methylthio) -5- (tributylstannyl) pyridine
CDA61899-01	2-Amino-5- (methylthio) pyridine