2- (2,6-Dichlorophenyl) thioacetamide

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CAS Number

17518-49-9

Synonyms

2- (2,6-Dichlorophenyl) ethanethioamide

MDL Number

MFCD00052483

Purity

=95%

Smiles

NC(=S)Cc1c(Cl)cccc1Cl

Chemical Information

2-(2,6-Dichlorophenyl)ethanethioamide

CAS Number	17518-49-9
PubChem CID	2743466
IUPAC Name	2-(2,6-dichlorophenyl)ethanethioamide
Molecular Formula	C8H7Cl2NS
Molecular Weight	220.12
XLogP	2.6
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

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

InChI

InChI=1S/C8H7Cl2NS/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H2,11,12)

InChIKey

FBAMANMRMUDYNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17518-49-9

CID: 2743466

Formula: C8H7Cl2NS

MW: 220.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.12
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	218.9676258
Monoisotopic Mass	218.9676258
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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
OR346052-01	2- (2-Bromophenyl) thioacetamide
OR1086871-01	(2,6-Dichlorophenyl) trimethylsilane
OR1047793-01	(2,6-Dichlorophenyl) methanethiol
OR902397	2,6-Dichlorophenyl isocyanide
OR23691	2,6-dichlorophenyl 2-azidobenzoate
OR89996-01	2- (2,6-Dichlorophenyl) acetamide
OR346053-01	2- (4-Bromophenyl) thioacetamide
OR315053-01	2- (Dimethylamino) thioacetamide hydrochloride
OR346069-01	2- (3-Methoxyphenyl) thioacetamide
OR310962-01	2- (2,6-Dichlorophenyl) -2-methylpropanenitrile

Catalog	Name
sc-265193	2- (2,6-Dichlorophenyl) thioacetamide
sc-265190	2- (2,4-Dichlorophenyl) thioacetamide
sc-265185	2- (2-Pyridylsulfonyl) thioacetamide
DEA31732	2- (2-Bromophenyl) thioacetamide
sc-273769	2- (2-Chlorophenyl) thioacetamide
sc-497956	2- (Dimethylamino) thioacetamide Hydrochloride
TRC-D470990-10G	2-(Dimethylamino)thioacetamide Hydrochloride
sc-274027	2- (p-Tolyl) thioacetamide
sc-265235	2- (4-Chlorophenyl) thioacetamide
F02690-01	2- (4-Fluorobenzylsulfonyl) thioacetamide