3-Methylbenzenecarbothioamide

C8H9NSCAS 2362-63-2151.23 g/mol

Open in Covalent MOL file
HNSH
Thiol

Properties

Molecular formula
C8H9NS
Molar mass
151.23 g/mol
Exact mass
151.0456 Da
Melting point
89–90 °C
logP
2.25Crippen estimate
Polar surface area
23.9 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2362-63-2
SMILES
Cc1cccc(C(=N)S)c1
InChIKey
NUFFXGAGGYWFAV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)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

7 names
  • Benzenecarbothioamide, 3-methyl-
  • m-Toluamide, thio-
  • m-Methylthiobenzamide
  • m-Toluthioamide
  • 3-Methylthiobenzamide
  • 3-Methylbenzothioamide
  • 3-Methylbenzene-1-carbothioamide

Work with 3-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

Thiobenzamide2227-79-459 % similar 3-Methylbenzamide618-47-356 % similar 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-551 % similar 3-Methylbenzamidoxime40067-82-151 % similar 3′-Methylacetophenone585-74-048 % similar 3-Methylbenzophenone643-65-248 % similar (3-Methylphenyl)thiourea621-40-947 % similar 3-Methylbenzoyl chloride1711-06-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzenecarbothioamide2362-62-1 N-Phenylethanethioamide637-53-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook