Carbophenothion

C₁₁H₁₆ClO₂PS₃CAS 786-19-6342.85 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₁₁H₁₆ClO₂PS₃
Molar mass: 342.85 g/mol
Exact mass: 341.9739 Da
Density: 1.271 g/mL (at 25 °C)
Boiling point: 82 °C (at 0.01 Torr)
Water solubility: 630 µg/L
logP: 5.42Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 015-044-00-6), via PubChem.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number

786-19-6

SMILES

CCOP(=S)(OCC)SCSc1ccc(Cl)cc1

InChIKey

VEDTXTNSFWUXGQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

Weigh it out

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

Names and synonyms

18 names · show all

Trithion
Carbofenthion
Ethyl carbophenothion
Hexathion
Carbofenothion
O,O-Diethyl S-(p-chlorophenylthio)methyl phosphorodithioate
Garrathion
R 1303
Carbofenotion
NSC 231691
Phosphorodithioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-diethyl ester
Phosphorodithioic acid, S-[[(p-chlorophenyl)thio]methyl] O,O-diethyl ester
R 1303 (Pesticide)
ENT 23,708
Acarithion
S-[[(p-Chlorophenyl)thio]methyl] O,O-diethyl phosphorodithioate
Oleoakarithion
Stauffer R 1303

Work with Carbophenothion

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

Methyl trithion953-17-369 % similar Ethion563-12-254 % similar Phorate298-02-248 % similar Chlormephos24934-91-646 % similar Prothiofos34643-46-446 % similar Phosalone2310-17-045 % similar Terbufos13071-79-945 % similar Dichlofenthion97-17-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia