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2- (4-Chlorophenyl) thioacetamide

CAT: 0127-OR24099-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
17518-48-8
Synonyms
2- (4-Chlorophenyl) ethanethioamide
MDL Number
MFCD00278249
Purity
=95%
Smiles
NC(=S)Cc1ccc(Cl)cc1

Chemical Information

2-(4-Chlorophenyl)ethanethioamide
CAS Number17518-48-8
PubChem CID2734827
IUPAC Name2-(4-chlorophenyl)ethanethioamide
Molecular FormulaC8H8ClNS
Molecular Weight185.67
XLogP2.1
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity141
SMILES
C1=CC(=CC=C1CC(=S)N)Cl
InChI
InChI=1S/C8H8ClNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
QHCDYIRWTPEABF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)ethanethioamide
CAS: 17518-48-8
CID: 2734827
Formula: C8H8ClNS
MW: 185.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.67
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass185.0065981
Monoisotopic Mass185.0065981
Topological Polar Surface Area58.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2652352- (4-Chlorophenyl) thioacetamide
sc-2740852-[ (4-Chlorophenyl) sulfonyl]thioacetamide
sc-2737692- (2-Chlorophenyl) thioacetamide
F02690-012- (4-Fluorobenzylsulfonyl) thioacetamide
XFA111302- (4-Bromophenyl) thioacetamide
sc-2652282- (4-Chlorophenoxy) thioacetamide
sc-282595A2- (3,4-Dimethoxy) -thioacetamide
sc-2652652- (4-tert-Butylphenoxy) thioacetamide
sc-2651902- (2,4-Dichlorophenyl) thioacetamide
sc-2738012- (2,4-Dichlorophenoxy) thioacetamide

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