Phorate

C₇H₁₇O₂PS₃CAS 298-02-2260.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₇O₂PS₃
Molar mass: 260.36 g/mol
Exact mass: 260.0128 Da
Density: 1.156 g/mL (at 25 °C)
Melting point: below −15 °C
Boiling point: 125–127 °C (at 2 Torr)
Flash point: 160 °C (open cup)
Water solubility: 50 mg/L
logP: 3.73Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal 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 015-033-00-6), via PubChem.

Precautionary statements

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

Identifiers

CAS number

298-02-2

SMILES

CCOP(=S)(OCC)SCSCC

InChIKey

BULVZWIRKLYCBC-UHFFFAOYSA-N

InChI

InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all

Phosphorodithioic acid, O,O-diethyl S-[(ethylthio)methyl] ester
L 11/6
ENT 24,042
American cyanamid 3911
O,O-Diethyl S-ethylmercaptomethyl dithiophosphate
O,O-Diethyl S-ethylthiomethyl dithiophosphate
O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate
Experimental insecticide 3911
Thimet
Thimet G
Thimet 10G
Phorate 10G
Timet
Granutox
VUAgT 182
suScon FuMing
Foratox

Work with Phorate

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

Ethion563-12-273 % similar Disulfoton298-04-470 % similar Terbufos13071-79-958 % similar Chlormephos24934-91-655 % similar Carbophenothion786-19-648 % similar Demeton-O298-03-346 % similar Thiometon640-15-343 % similar Dioxathion78-34-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia