Chemical Properties of Pyridate (CAS 55512-33-9)

Pyridate

InChI
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChI Key
JTZCTMAVMHRNTR-UHFFFAOYSA-N
Formula
C19H23ClN2O2S
SMILES
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1
Molecular Weight1
378.92
CAS
55512-33-9
Other Names
  • Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl ester
  • O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate
  • CL 11344
  • Fenpyrate
  • Lentagran
  • P1 3419
  • Pyron
  • Tough
  • O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl thiocarbonate
  • O-(6-chloro-3-phenylpyridazin-4-yl) S-octyl thiocarbonate
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Physical Properties

Property Value Unit Source
ω 0.8875 Relay (1.0) Calculated Property
ΔfG° 105.99 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -222.02 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.71 kJ/mol Relay (1.0) Calculated Property
IE 8.75 eV Relay (1.0) Calculated Property
log10WS -6.65 Relay (1.0) Calculated Property
logPoct/wat 6.389 Crippen Calculated Property
McVol 287.040 ml/mol McGowan Calculated Property
Pc 1595.61 kPa Relay (1.0-beta) Calculated Property
Tboil 682.13 K Relay (1.0) Calculated Property
Tc 935.21 K Relay (1.0) Calculated Property
Tfus 333.87 K Relay (1.0) Calculated Property
Vc 1.040 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

cis-Acenaphthene-1,2-diol, ferrocenylboronate. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. inosine-5'-monophosphate, TMS. risperidone. Tazettine. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. xanthosine-5'-monophosphate, TMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Tetrabenazine M (desmethyl-HO-), monoacetylated. Quinine, trimethylsilyl ether.

Find more compounds similar to Pyridate.

Sources

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