chempirical

N-[3-(Methylthio)phenyl]acetamide

C9H11NOSCAS 2524-78-9181.25 g/mol

Open in Covalent MOL file
SNHO
Sulfide

Properties

Molecular formula
C9H11NOS
Molar mass
181.25 g/mol
Exact mass
181.0561 Da
logP
3.02Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2524-78-9
SMILES
CSc1cccc(N=C(C)O)c1
InChIKey
DFRHNWNBWOIBRW-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NOS/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Acetamide, N-[3-(methylthio)phenyl]-
  • Acetanilide, 3′-(methylthio)-
  • NSC 157358
  • 3-(Acetylamino)thioanisole
  • 3-Acetamidothioanisole

Work with N-[3-(Methylthio)phenyl]acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(3-Fluorophenyl)acetamide351-28-059 % similar N-(3-Methylphenyl)acetamide537-92-859 % similar N-(3-Chlorophenyl)acetamide588-07-859 % similar 3-Acetamidophenol621-42-159 % similar 3-Aminoacetanilide102-28-357 % similar Acetanilide103-84-455 % similar 3-(Methylthio)phenyl isocyanate28479-19-853 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook