3-Bromo-2- (methylthio) pyridine

CAT: 0926-BCA93377Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-BCA93377Size:2.5 g

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CAS Number

51933-77-8

MDL Number

MFCD12964310

Smiles

CSC1=C (C=CC=N1) Br

Molecular Formula

C6H6BrNS

Molecular Weight

204.09 g/mol

Controlled

Chemical Information

3-Bromo-2-(methylthio)pyridine

CAS Number	51933-77-8
PubChem CID	12533396
IUPAC Name	3-bromo-2-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=C(C=CC=N1)Br

InChI

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

InChIKey

UZRUCGBRGXJVHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51933-77-8

CID: 12533396

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
JKB86317-01	2-Bromo-3- (methylthio) pyridine
ZCA13442	2-Bromo-6- (methylthio) pyridine
DAA14577	2- ((Methylthio) methyl) pyridine
MLB33224-01	3-Bromo-2-methylthieno[2,3-b]pyridine
FB139356-01	5-Bromo-2- (methylthio) pyrimidine
GNB11171-01	3-Bromo-2- (pyridin-2-yl) pyridine
DVA82196-01	3-Bromo-2- (methylthio) benzoic acid
RBA28894-01	2-Chloro-5- (methylthio) pyridine
WCA50683-01	2-Chloro-4- (methylthio) pyridine
CDA61899-01	2-Amino-5- (methylthio) pyridine

Catalog	Name
424124-01	3-Bromo-2- (methylthio) pyridine
OR1094655	2-Bromo-3- (methylthio) pyridine
sc-262429	5-Bromo-2- (methylthio) pyridine
OR1099869-01	4-Bromo-2- (methylthio) pyridine
OR1059196-01	2-Bromo-4- (methylthio) pyridine
OR15633-01	2-Bromo-6- (methylthio) pyridine
OR94734-01	2-Bromo-5- (methylthio) pyridine
OR1094044	3-bromo-4- (methylthio) pyridine
sc-256470	3-Bromo-5- (methylthio) pyridine
OR1094441-01	3-Bromo-6-chloro-2- (methylthio) pyridine