chempirical

O-(4-Methylphenyl) carbonochloridothioate

C8H7ClOSCAS 937-63-3186.65 g/mol

Open in Covalent MOL file
OSCl

Properties

Molecular formula
C8H7ClOS
Molar mass
186.65 g/mol
Exact mass
185.9906 Da
Boiling point
115–119 °C (at 13 Torr)
logP
2.90Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
937-63-3
SMILES
Cc1ccc(OC(=S)Cl)cc1
InChIKey
UNCAXIZUVRKBMN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Carbonochloridothioic acid, O-(4-methylphenyl) ester
  • Formic acid, chlorothio-, O-p-tolyl ester
  • p-Tolyloxythiocarbonyl chloride
  • 4-Methylphenyl chlorothioformate
  • p-Tolyl chlorothionoformate
  • O-4-Methylphenyl chlorothioformate

Work with O-(4-Methylphenyl) carbonochloridothioate

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-Methylphenyl acetate140-39-647 % similar 1,1′-Oxybis[4-methylbenzene]1579-40-444 % similar O-(3,4,5-Trifluorophenyl) carbonochloridothioate959586-39-143 % similar 4-Methylanisole104-93-841 % similar P-Cresyl isovalerate55066-56-339 % similar P-Cresyl phenylacetate101-94-038 % similar P-Xylene106-42-338 % similar 4-Methylphenyl octanoate59558-23-537 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook