chempirical

4-Methoxybenzenecarbothioamide

C8H9NOSCAS 2362-64-3167.23 g/mol

Open in Covalent MOL file
ONH2S
Ether

Properties

Molecular formula
C8H9NOS
Molar mass
167.23 g/mol
Exact mass
167.0405 Da
Melting point
98.7–99 °C
logP
1.33Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2362-64-3
SMILES
COc1ccc(C(N)=S)cc1
InChIKey
WKWVTPKUHJOVTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)

Weigh it out

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

Names and synonyms

7 names
  • Benzenecarbothioamide, 4-methoxy-
  • p-Anisamide, thio-
  • p-Methoxythiobenzamide
  • 4-Methoxythiobenzamide
  • p-Methoxybenzothiamide
  • Thio-p-anisamide
  • 4-Methoxybenzothioamide

Work with 4-Methoxybenzenecarbothioamide

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

4-Methoxybenzamide3424-93-957 % similar 4-Methylbenzenecarbothioamide2362-62-155 % similar 4-Aminobenzenecarbothioamide4714-67-452 % similar 4,4′-Dimethoxybenzil1226-42-250 % similar 1,4-Dimethoxybenzene150-78-750 % similar 4-Fluorothiobenzamide22179-72-250 % similar 4-(1,1-Dimethylethyl)benzenecarbothioamide57774-77-350 % similar 4,4′-Dimethoxybenzophenone90-96-050 % similar

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

Same formula

4-Acetamidothiophenol1126-81-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook