2,6-Dichlorothiophenol

CAT: 0127-OR4455-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR4455-01Size:5 g

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CAS Number

24966-39-0

Synonyms

2,6-Dichlorobenzenethiol, 2,6-Dichlorophenyl mercaptan

MDL Number

MFCD00004833

Purity

98%

Smiles

Sc1c(Cl)cccc1Cl

Storage Conditions

Store at 2-8°C

Chemical Information

Benzenethiol, 2,6-dichloro-

CAS Number	24966-39-0
PubChem CID	90671
IUPAC Name	2,6-dichlorobenzenethiol
Molecular Formula	C6H4Cl2S
Molecular Weight	179.07
XLogP	3.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

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

InChI

InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChIKey

JBISHCXLCGVPGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24966-39-0

CID: 90671

Formula: C6H4Cl2S

MW: 179.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.07
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	177.9410767
Monoisotopic Mass	177.9410767
Topological Polar Surface Area	1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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
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OR7999-01	2,5-Dichlorothiophenol
OR3331-01	2,4-Dichlorothiophenol
OR0770-01	3,5-Dichlorothiophenol
OR9736-01	3,4-Dichlorothiophenol
OR1062063-01	[2,2':6',2''-Terpyridine]-6,6''-dicarbonitrile
OR1026256-01	6,6''-Dibromo-2,2':6',2''-Terpyridine
OR73611-01	2,2,6,6-Tetramethylmorpholine
OR30412-01	2,2,6,6-Tetramethylpiperidine
OR1074306-01	2,2':6',2'':6'',2'''-Quaterpyridine