Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M

Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M

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InChI
InChI=1S/C17H25NO5S/c1-6-9-24-17-14(21-4)10-13(7-8-18-11(2)19)15(22-5)16(17)23-12(3)20/h10H,6-9H2,1-5H3,(H,18,19)
InChI Key
GUSMHIMYTGDYGX-UHFFFAOYSA-N
Formula
C17H25NO5S
SMILES
CCCSc1c(OC)cc(CCNC(C)=O)c(OC)c1OC(C)=O
Molecular Weight1
355.45
Sources

Physical Properties

Property Value Unit Source
Δf -284.18 kJ/mol Joback Calculated Property
Δfgas -730.04 kJ/mol Joback Calculated Property
Δfus 48.26 kJ/mol Joback Calculated Property
Δvap 92.33 kJ/mol Joback Calculated Property
logPoct/wat 2.81 Crippen Calculated Property
Pc 1633.81 kPa Joback Calculated Property
Tboil 928.91 K Joback Calculated Property
Tc 1148.36 K Joback Calculated Property
Tfus 611.46 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 840.39 J/mol×K 928.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 5
=CH- (ring) 1
-CH2- 4
=C< (ring) 5
-S- 1
>NH 1
>C=O (nonring) 2

Similar Compounds

Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, sulfone, acetoxy-M. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, hydroxy-M. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl. N-Trifluoroacetyl-2,5-dimethoxy-4-trifluoroacetoxypropylthio-«beta»-phenethylamine. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 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-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-), 2TFA. Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-methylene. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfoxide, N-acetyl. Benzeneethanol, 2,5-dimethoxy-4-propylthio, acetate. Benzeneacetic acid, 2,5-dimethoxy-4-propylthio, methyl ester.

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