![N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide](/cid/85-458-0/N-1-methyl-2-4-methylsulfanyl-phenyl-ethyl-acetamide.png "N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide")
- InChI
- InChI=1S/C12H17NOS/c1-9(13-10(2)14)8-11-4-6-12(15-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,13,14)
- InChI Key
- BKTUHYUDOIRFKH-UHFFFAOYSA-N
- Formula
- C12H17NOS
- SMILES
- CSc1ccc(CC(C)N=C(C)O)cc1
- Molecular Weight1
- 223.33
- CAS
- 634607-26-4
- Other Names
-
- 4-methylthioamphetamine acetylated
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6638 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -187.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.316 | Crippen Calculated Property | |
| McVol | 184.080 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1700.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 613.08 | K | Relay (1.0) Calculated Property |
| Tc | 804.43 | K | Relay (1.0) Calculated Property |
| Tfus | 357.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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