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N- (2-Chlorophenyl) -2-mercaptoacetamide

CAT: 0926-FC125685-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC125685-01Size:50 mg
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CAS Number
17223-64-2
MDL Number
MFCD01995720
Smiles
C1=CC=C (C (=C1) NC (=O) CS) Cl
Molecular Formula
C8H8ClNOS
Molecular Weight
201.67 g/mol
Controlled
No

Chemical Information

N-(2-chlorophenyl)-2-mercaptoacetamide
CAS Number17223-64-2
PubChem CID679489
IUPAC NameN-(2-chlorophenyl)-2-sulfanylacetamide
Molecular FormulaC8H8ClNOS
Molecular Weight201.67
XLogP1.6
Topological Polar Surface Area30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC=C(C(=C1)NC(=O)CS)Cl
InChI
InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKey
YWEROQPLZVORDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-chlorophenyl)-2-mercaptoacetamide
CAS: 17223-64-2
CID: 679489
Formula: C8H8ClNOS
MW: 201.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.67
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass201.0015127
Monoisotopic Mass201.0015127
Topological Polar Surface Area30.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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