Chemical Properties of 2-Butenoic acid, 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-, 1-methylethyl ester, (E)- (CAS 31218-83-4)

2-Butenoic acid, 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-, 1-methylethyl ester, (E)-

InChI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
InChI Key
BZNDWPRGXNILMS-VQHVLOKHSA-N
Formula
C10H20NO4PS
SMILES
CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C
Molecular Weight1
281.31
CAS
31218-83-4
Other Names
  • (E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate
  • (E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato
  • (E)-3-[[(Ethylamino)methoxyphosphinothioyl]oxy]-2-butenoic acid 1-methyl-ethyl ester
  • (E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate
  • 1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate
  • 2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, isopropyl ester, (E)-
  • Blotic
  • Crotonic acid, 3-hydroxy-, isopropyl ester, O-ester with O-methyl ethylphosphoramidothioate, (E)-
  • Deadmag
  • E-Propetamphos
  • ENT 27989
  • Isopropyl (2E)-3-([(ethylamino)(methoxy)phosphorothioyl]oxy)-2-butenoate
  • O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate
  • OMS 1502
  • Propetamphos
  • SAN 322I
  • SAN 52139
  • Safrotin S 200
  • Sandoz 52139
  • TSAR
  • VEL 4283
  • trans-isopropyl-3-[[(ethylamino)methoxyfosfinothioyl]oxy]crotonate
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Physical Properties

Property Value Unit Source
ΔvapH° 83.17 kJ/mol Relay (1.0) Calculated Property
log10WS [-3.41; -3.41]   Show Hide
log10WS -3.41 Aq. Solubility Prediction
log10WS -3.41 Estimated Solubility
logPoct/wat 2.339 Crippen Calculated Property
McVol 213.430 ml/mol McGowan Calculated Property
Inp [1774.00; 1779.00]   Show Hide
Inp 1774.00 NIST
Inp 1779.00 NIST
Inp 1777.00 NIST
Inp 1777.00 NIST
Inp 1774.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Labetalol, O,O,N-triacetyl deriv.. Dehydrocytisine. 7-acetyl-9-curassavoylheliotridine. Morazone. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. Florosenine. Florosenine (otonecine-acetyljacobine). Otosenine. Hydroxy-N-methylcytisine. Retroisosenine. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to 2-Butenoic acid, 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-, 1-methylethyl ester, (E)-.

Sources

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