chempirical

Cyanophos

C9H10NO3PSCAS 2636-26-2243.22 g/mol

Open in Covalent MOL file
OPSOON
Nitrile

Properties

Molecular formula
C9H10NO3PS
Molar mass
243.22 g/mol
Exact mass
243.0119 Da
Density
1.255–1.265 g/mL (at 25 °C)
Melting point
14–15 °C
Boiling point
119–120 °C
logP
2.45Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
2636-26-2
SMILES
COP(=S)(OC)Oc1ccc(C#N)cc1
InChIKey
SCKHCCSZFPSHGR-UHFFFAOYSA-N
InChI
InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Phosphorothioic acid, O-(4-cyanophenyl) O,O-dimethyl ester
  • Phosphorothioic acid, O,O-dimethyl ester, O-ester with p-hydroxybenzonitrile
  • Phosphorothioic acid, O-p-cyanophenyl O,O-dimethyl ester
  • S 4084
  • BAY 34727
  • Cyanox
  • O,O-Dimethyl O-(4-cyanophenyl) phosphorothioate
  • O,O-Dimethyl O-(p-cyanophenyl) phosphorothioate
  • Sumitomo S 4084
  • Ciafos
  • CYAP
  • Cyanofos
  • Falcolan

Work with Cyanophos

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Temefos3383-96-857 % similar 4-Methoxybenzonitrile874-90-852 % similar Parathion methyl298-00-049 % similar Cyanofenphos13067-93-148 % similar Fenthion55-38-943 % similar 1,4-Dicyanobenzene623-26-741 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-540 % similar Fenitrothion122-14-540 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia