3-Fluoro-4- (methylthio) -pyridine

CAT: 0127-PC1022267-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1022267-01Size:1 g

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CAS Number

902518-41-6

MDL Number

MFCD28142593

Purity

97%

Smiles

C1cncc (c1SC) F

Chemical Information

3-Fluoro-4-(methylthio)-pyridine

CAS Number	902518-41-6
PubChem CID	57830020
IUPAC Name	3-fluoro-4-methylsulfanylpyridine
Molecular Formula	C6H6FNS
Molecular Weight	143.18
XLogP	1.5
Topological Polar Surface Area	38.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	89

SMILES

CSC1=C(C=NC=C1)F

InChI

InChI=1S/C6H6FNS/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3

InChIKey

RHMGQKJWGKVPES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 902518-41-6

CID: 57830020

Formula: C6H6FNS

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.02049853
Monoisotopic Mass	143.02049853
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
PC56138-01	2-Fluoro-4- (methylthio) pyridine
PC1013242-01	3-fluoro-4-iodo-2- (methylthio) pyridine
PC1012984-01	2-fluoro-4-iodo-3- (methylthio) pyridine
PC1019402-01	4-bromo-3-fluoro-2- (methylthio) pyridine
PC1022268-01	3-fluoro-2,4-bis (methylthio) pyridine
PC1020108-01	3- (cyclopropylmethoxy) -2-fluoro-4- (methylthio) pyridine
PC1019084-01	4-chloro-2-fluoro-3- (methylthio) pyridine
PC1014214-01	2-Chloro-4-fluoro-3- (methylthio) pyridine
PC1013509	3-Chloro-2-fluoro-4- (methylthio) pyridine
PC1024956-01	3-Bromo-2-fluoro-4- (methylthio) pyridine

Catalog	Name
TRC-B101306-50MG	4-(methylthio)pyridine
WCA50683-01	2-Chloro-4- (methylthio) pyridine
BCA93377	3-Bromo-2- (methylthio) pyridine
sc-256470	3-Bromo-5- (methylthio) pyridine
JKB86317-01	2-Bromo-3- (methylthio) pyridine
sc-299957	6-Bromo-3- (methylthio) -[1,2,4]triazolo[4,3-a]pyridine
sc-259308	2- (Methylthio) pyridine-3-carbonyl chloride
sc-262339	5- (Methylthio) pyridine-3-boronic acid
sc-268184	6- (Methylthio) pyridine-3-boronic acid
sc-265302	2- (Methylthio) pyridine-3-boronic acid