3-Chlorothiophenol

CAT: 0127-OR5234-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR5234-01Size:5 g

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CAS Number

2037-31-2

Synonyms

3-Chlorobenzenethiol

MDL Number

MFCD00004839

Purity

97%

Smiles

Sc1cccc(Cl)c1

Chemical Information

3-Chlorothiophenol

CAS Number	2037-31-2
PubChem CID	16257
IUPAC Name	3-chlorobenzenethiol
Molecular Formula	C6H5ClS
Molecular Weight	144.62
XLogP	3.1
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=CC(=CC(=C1)Cl)S

InChI

InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey

CQJDYPZUDYXHLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2037-31-2

CID: 16257

Formula: C6H5ClS

MW: 144.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.62
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	143.9800490
Monoisotopic Mass	143.9800490
Topological Polar Surface Area	1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
OR1590-01	2-Chlorothiophenol
OR54321-01	4-Chlorothiophenol
OR9714	2-Amino-5-chlorothiophenol
OR0785-01	2-Amino-4-chlorothiophenol
OR0302-01	3-Chlorothiophene
OR92694-01	5-Chlorothiophene-3-carbonitrile
OR927023-01	3-Acetyl-5-chlorothiophene
OR103654	2- (Aminomethyl) -3-chlorothiophene
OR111119	3-Chlorothiophene-2-carbohydrazide
OR43664-01	3- (Bromomethyl) -2-chlorothiophene

Catalog	Name
268909-01	3-Chlorothiophenol
TRC-A578375-500MG	2-Amino-3-chlorothiophenol
FC167065-01	2-Chlorothiophenol
1031450 500	4-chlorothiophenol
C19510-01	P-Chlorothiophenol 97%
TRC-C364595-5G	4-Chlorothiophenol(4-Chlorobenzenethiol)
abx181014	2-Amino-4-Chlorothiophenol
FA32225-01	2-Amino-5-chlorothiophenol
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline