(2,6-Dichlorophenyl) methanethiol

CAT: 0926-RCA27947-02Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-RCA27947-02Size:2.5 g

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CAS Number

66279-47-8

MDL Number

MFCD10691744

Smiles

C1=CC (=C (C (=C1) Cl) CS) Cl

Molecular Formula

C7H6Cl2S

Molecular Weight

193.09 g/mol

Controlled

Chemical Information

(2,6-Dichlorophenyl)methanethiol

CAS Number	66279-47-8
PubChem CID	13914804
IUPAC Name	(2,6-dichlorophenyl)methanethiol
Molecular Formula	C7H6Cl2S
Molecular Weight	193.09
XLogP	3.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C(=C1)Cl)CS)Cl

InChI

InChI=1S/C7H6Cl2S/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

InChIKey

MRYKGHAIIFWEEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66279-47-8

CID: 13914804

Formula: C7H6Cl2S

MW: 193.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.09
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	191.9567268
Monoisotopic Mass	191.9567268
Topological Polar Surface Area	1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.8
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
SAA79902-01	(2,5-Dichlorophenyl) methanethiol
DKB20482-01	(2,6-Difluorophenyl) methanethiol
ZJB98861-01	(2-Methoxyphenyl) methanethiol
ELC54551-01	(2-Cyclopropylphenyl) methanethiol
FD133300	(2,6-Dichlorophenyl) phenylamine
PBA92037-01	2,6-Dichlorophenyl Isocyanate
IQA12739-01	2- (2,6-dichlorophenyl) pyrrolidine
XAA18298-01	(2,5-Dimethylphenyl) methanethiol
FCA93121-01	2- (2,6-Dichlorophenyl) -2-hydroxyacetonitrile
YNC04405-01	Cyclopropyl (2,6-dichlorophenyl) methanone

Catalog	Name
OR1047793-01	(2,6-Dichlorophenyl) methanethiol
OR1049084-01	(3,5-Dichlorophenyl) methanethiol
PC48785	(2,6-Difluorophenyl) methanethiol
OR91121-01	(2,4,6-Trimethoxyphenyl) methanethiol
PC108797-01	(2-Fluorophenyl) Methanethiol
OR1053849-01	(2-Nitrophenyl) methanethiol
OR30176-01	(2-Methylphenyl) methanethiol
OR51959	(2-Methoxyphenyl) methanethiol
sc-343268	(2,2-dichlorocyclopropyl) methanethiol
OR21967	[3- (mercaptomethyl) -2,4,6-trimethylphenyl]methanethiol