N1- (3,5-dichlorophenyl) -2-mercaptoacetamide

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CAS Number

99254-25-8

MDL Number

MFCD00277357

Smiles

SCC (=O) Nc1cc (Cl) cc (Cl) c1

Chemical Information

N-(3,5-dichlorophenyl)-2-sulfanylacetamide

CAS Number	99254-25-8
PubChem CID	2774372
IUPAC Name	N-(3,5-dichlorophenyl)-2-sulfanylacetamide
Molecular Formula	C8H7Cl2NOS
Molecular Weight	236.12
XLogP	3.5
Topological Polar Surface Area	30.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

C1=C(C=C(C=C1Cl)Cl)NC(=O)CS

InChI

InChI=1S/C8H7Cl2NOS/c9-5-1-6(10)3-7(2-5)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)

InChIKey

VOGOHSQXQBVMBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99254-25-8

CID: 2774372

Formula: C8H7Cl2NOS

MW: 236.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.12
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	234.9625404
Monoisotopic Mass	234.9625404
Topological Polar Surface Area	30.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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
OR21170	N1- (2-Methoxyphenyl) -2-mercaptoacetamide
PC31165	N1- (2-fluorophenyl) -2-mercaptoacetamide
PC31158	N1- (4-Fluorophenyl) -2-mercaptoacetamide
OR21107	N1- (4-Methoxyphenyl) -2-mercaptoacetamide
OR21199	N1- (2,6-dimethylphenyl) -2-mercaptoacetamide
OR29768	N1- (3,5-dichlorophenyl) -2-bromoacetamide
OR21120	N1- (2-Chloro-4-methylphenyl) -2-mercaptoacetamide
OR28537	N1- (2,5-dichlorophenyl) -2-hydroxyiminoacetamide
OR27025-01	N1- (2,3-Dichlorophenyl) -2-chloroacetamide
OR29969	N1- (3,4-Dichlorophenyl) -2-chloroacetamide

Catalog	Name
434415-01	5- (3,5-Dichlorophenyl) -2-formylphenol
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JCA84371-01	3- (2,5-Dichlorophenyl) pyrazole
413520-01	2- (3,5-Dichlorophenyl) ethanamine
413517-01	2- (3,5-Dichlorophenyl) acetonitrile
TCA57536	2- (3,5-Dichlorophenyl) propene
FD53091	2- (3,5-Dichlorophenyl) Pyrrolidine
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