Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl

Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl

InChI
InChI=1S/C12H17NO3S/c1-8(14)13-5-4-9-6-11(16-3)12(17)7-10(9)15-2/h6-7,17H,4-5H2,1-3H3,(H,13,14)
InChI Key
PPQHFWLKYPAVPB-UHFFFAOYSA-N
Formula
C12H17NO3S
SMILES
COc1cc(CCNC(C)=O)c(OC)cc1S
Molecular Weight1
255.33
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Physical Properties

Property Value Unit Source
ΔfusH° 32.83 kJ/mol Joback Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -2.48 Relay (1.0) Calculated Property
logPoct/wat 1.671 Crippen Calculated Property
McVol 195.820 ml/mol McGowan Calculated Property
Inp 2170.00 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [519.98; 588.20] J/mol×K [727.52; 949.32] Show Hide
Cp,gas 519.98 J/mol×K 727.52 Joback Calculated Property
Cp,gas 533.66 J/mol×K 764.49 Joback Calculated Property
Cp,gas 546.43 J/mol×K 801.45 Joback Calculated Property
Cp,gas 558.27 J/mol×K 838.42 Joback Calculated Property
Cp,gas 569.19 J/mol×K 875.39 Joback Calculated Property
Cp,gas 579.17 J/mol×K 912.35 Joback Calculated Property
Cp,gas 588.20 J/mol×K 949.32 Joback Calculated Property

Similar Compounds

Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfoxide, N-acetyl. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfone, N-acetyl. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), 2TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 2-(4-Acetyl-5-hydroxy-2-methoxyphenyl)ethylamine, N-acetyl-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I.

Find more compounds similar to Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl.

Sources

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