Chemical Properties of Pyrimitate (CAS 5221-49-8)

Pyrimitate

InChI
InChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3
InChI Key
MLDVVJZNWASRQL-UHFFFAOYSA-N
Formula
C11H20N3O3PS
SMILES
CCOP(=S)(OCC)Oc1cc(C)nc(N(C)C)n1
Molecular Weight1
305.33
CAS
5221-49-8
Other Names
  • Phosphorothioic acid, O-[2-(dimethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl ester
  • O-(2-Diethylamino-6-methylpyrimidin-4-yl)-O,O-diethyl phosphorothioate
  • Diothyl
  • ICI 29661
  • Pyrimital
  • Pyrimithate
  • O,O-Diethyl O-(2-dimethylamino-6-methyl-4-pyrimidinyl) phosphorothioate
  • O-[2-(Dimethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl thiophosphate
  • Pirimithate
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Physical Properties

Property Value Unit Source
ω 0.6615 Relay (1.0) Calculated Property
ΔfG° -10.60 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -455.09 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 89.62 kJ/mol Relay (1.0) Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -3.57 Relay (1.0) Calculated Property
logPoct/wat 2.527 Crippen Calculated Property
McVol 226.450 ml/mol McGowan Calculated Property
Pc 1868.16 kPa Relay (1.0-beta) Calculated Property
Tboil 608.52 K Relay (1.0) Calculated Property
Tc 818.64 K Relay (1.0) Calculated Property
Tfus 294.00 K Relay (1.0) Calculated Property
Vc 0.848 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Pirimiphos ethyl. Pirimiphos methyl. Phosphoric acid, 2-(diethylamino)-6-methyl-4-pyrimidinyl diethyl ester. Diazinone. Diazinone. Diazoxon. 7-acetyl-9-(2-hydroxy-3-methylbutyryl) retronecine. Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6-(hydroxymethyl)-1,6-dimethyl-, (-)-. Indomethacin, pentyl ester. Indomethacin, TBDMS. 3'-acetylmyoscorpine. Thymine riboside, TMS. Desomorphine. 3'-acetylechiupinine. 7-diacetyllycopsamine.

Find more compounds similar to Pyrimitate.

Sources

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