chempirical

4-Methylbenzenecarbothioamide

C8H9NSCAS 2362-62-1151.23 g/mol

Open in Covalent MOL file
NH2S

Properties

Molecular formula
C8H9NS
Molar mass
151.23 g/mol
Exact mass
151.0456 Da
Melting point
87.5–88.5 °C
logP
1.63Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2362-62-1
SMILES
Cc1ccc(C(N)=S)cc1
InChIKey
QXYZSNGZMDVLKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

9 names
  • Benzenecarbothioamide, 4-methyl-
  • p-Toluamide, thio-
  • p-Methylthiobenzamide
  • p-Methylthiobenzoylamide
  • 4-Methylthiobenzamide
  • p-Methylbenzothiamide
  • Thio-p-toluamide
  • p-Methylbenzenecarbothioamide
  • 4-Methylbenzothioamide

Work with 4-Methylbenzenecarbothioamide

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-Aminobenzenecarbothioamide4714-67-458 % similar 4-Fluorothiobenzamide22179-72-256 % similar 4-Methoxybenzenecarbothioamide2362-64-355 % similar 4-(1,1-Dimethylethyl)benzenecarbothioamide57774-77-355 % similar 4-Pyridinecarbothioamide2196-13-652 % similar 4-Methylbenzamide619-55-652 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-652 % similar 4-Methylbenzamidoxime19227-13-545 % similar

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

Same formula

3-Methylbenzenecarbothioamide2362-63-2 N-Phenylethanethioamide637-53-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook