chempirical

Phenthoate

C12H17O4PS2CAS 2597-03-7320.36 g/mol

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Ester

Properties

Molecular formula
C12H17O4PS2
Molar mass
320.36 g/mol
Exact mass
320.0306 Da
Density
1.226 g/mL (at 20 °C)
Melting point
17–18 °C
Boiling point
70–80 °C
logP
3.54Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
2597-03-7
SMILES
CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1
InChIKey
XAMUDJHXFNRLCY-UHFFFAOYSA-N
InChI
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

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

Names and synonyms

26 names · show all
  • Benzeneacetic acid, α-[(dimethoxyphosphinothioyl)thio]-, ethyl ester
  • Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate
  • Acetic acid, mercaptophenyl-, ethyl ester O,O-dimethyl phosphorodithioate
  • Phosphorodithioic acid, O,O-dimethyl ester, S-ester with ethyl mercaptophenylacetate
  • Bayer 18,510
  • ENT 23438
  • Cidial
  • Dimephenthoate
  • O,O-Dimethyl S-α-ethoxycarbonylbenzyl phosphorodithioate
  • Elsan
  • S-α-Ethoxycarbonylbenzyl dimethyl phosphorothiolothionate
  • Papthion
  • Tsidial
  • L 561
  • BAY 33051
  • S-[α-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate
  • Montecatini L 561
  • Fenthoate
  • Pap
  • ENT 27386GC
  • Phendal
  • Cidemul
  • Bayer 18510
  • Tagson
  • Dhanusan 50
  • Shaluosong

Work with Phenthoate

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

Malathion121-75-555 % similar Ethyl α-chlorobenzeneacetate4773-33-550 % similar (-)-Ethyl mandelate10606-72-149 % similar Ethyl α-bromobenzeneacetate2882-19-149 % similar (±)-Ethyl mandelate4358-88-749 % similar (±)-Ethyl mandelate774-40-349 % similar Ethyl 3-phenylglycidate121-39-148 % similar Ethyl D-phenylglycinate hydrochloride17609-48-246 % similar

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

Elsewhere

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