chempirical

O-p-Tolyl chlorothioformate

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

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, P501

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

7 names
  • O-(4-Methylphenyl) carbonochloridothioate
  • 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-p-Tolyl chlorothioformate

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

Phenyl chlorothionoformate1005-56-761 % similar O-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate84995-63-147 % similar 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook