chempirical

N-Phenylethanethioamide

C8H9NSCAS 637-53-6151.23 g/mol

Open in Covalent MOL file
HSN
Thiol

Properties

Molecular formula
C8H9NS
Molar mass
151.23 g/mol
Exact mass
151.0456 Da
Melting point
76–79 °C
logP
2.67Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
637-53-6
SMILES
CC(S)=Nc1ccccc1
InChIKey
MWCGLTCRJJFXKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Ethanethioamide, N-phenyl-
  • Acetanilide, thio-
  • Thioacetanilide
  • N-Phenylthioacetamide
  • NSC 36984

Work with N-Phenylethanethioamide

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

Acetanilide103-84-452 % similar Thiocarbanilide102-08-945 % similar 4-Phenylthiosemicarbazide5351-69-945 % similar Phenylcarbylamine chloride622-44-644 % similar Propham122-42-942 % similar N-[(Phenylamino)thioxomethyl]benzamide4921-82-842 % similar Fenuron101-42-842 % similar Acetoacetanilide102-01-241 % similar

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

Same formula

4-Methylbenzenecarbothioamide2362-62-1 3-Methylbenzenecarbothioamide2362-63-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook