2-Bromo-4- (methylthio) pyridine

CAT: 0127-OR1059196-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059196-01Size:100 mg

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CAS Number

1193244-91-5

MDL Number

MFCD28337126

Purity

97%

Smiles

CSC1=CC(Br)=NC=C1

Chemical Information

2-Bromo-4-(methylthio)pyridine

CAS Number	1193244-91-5
PubChem CID	23437017
IUPAC Name	2-bromo-4-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=CC(=NC=C1)Br

InChI

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

InChIKey

BCTAQQXOKMHCFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1193244-91-5

CID: 23437017

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
OR1099869-01	4-Bromo-2- (methylthio) pyridine
OR1094044	3-bromo-4- (methylthio) pyridine
PC1019402-01	4-bromo-3-fluoro-2- (methylthio) pyridine
OR1090156-01	2-bromo-6-methoxy-4- (methylthio) pyridine
OR1090193-01	4-bromo-3-chloro-2- (methylthio) pyridine
OR1090146-01	2-Bromo-3-chloro-4- (methylthio) pyridine
PC1024956-01	3-Bromo-2-fluoro-4- (methylthio) pyridine
OR1094043-01	5-bromo-2-chloro-4- (methylthio) pyridine
OR1064516-01	5-Bromo-4-methyl-2- (methylthio) pyridine
PC1019643-01	2-bromo-5-fluoro-4- (methylthio) pyridine

Catalog	Name
ZCA13442	2-Bromo-6- (methylthio) pyridine
BCA93377	3-Bromo-2- (methylthio) pyridine
sc-262429	5-Bromo-2- (methylthio) pyridine
JKB86317-01	2-Bromo-3- (methylthio) pyridine
TRC-B101306-50MG	4-(methylthio)pyridine
WCA50683-01	2-Chloro-4- (methylthio) pyridine
sc-256470	3-Bromo-5- (methylthio) pyridine
424123-01	3-Bromo-2- (methylthio) -5- (trifluoromethyl) pyridine
sc-229865	2- (Methylthio) pyridine
sc-299957	6-Bromo-3- (methylthio) -[1,2,4]triazolo[4,3-a]pyridine