- InChI
- InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
- InChI Key
- MVOUIYUWRXPNKD-UHFFFAOYSA-N
- Formula
- C14H19NO4S
- SMILES
-
COc1cc(C(=S)N2CCOCC2)cc(OC)c1O
C - Molecular Weight1
- 297.37
- CAS
- 35619-65-9
- Other Names
-
- Morpholine, 4-[thioxo(3,4,5-trimethoxyphenyl)methyl]-
- Morpholine, 4-(3,4,5-trimethoxythiobenzoyl)-
- ISF 2001
- Morpholine, 4-(thioxo(3,4,5-trimethyloxyphenyl)methyl)-
- 4-(Thioxo(3,4,5-trimethoxyphenyl)methyl)morpholine
- Tresanil
- Trithiozine
- 4-(3,4,5-Trimethoxythiobenzoyl)morpholine
- 4-(3,4,5-Trimethoxythiobenzoyl)tetrahydro-1,4-oxazine
- Tritiozina
- Sulmetozine
- 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 | 0.7424 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -418.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.720 | Crippen Calculated Property | |
| McVol | 219.010 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2396.00 | NIST | |
| Tboil | 667.55 | K | Relay (1.0) Calculated Property |
| Tc | 896.51 | K | Relay (1.0) Calculated Property |
| Tfus | 396.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tritiozine.
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
- McGowan Method
- NIST Webbook
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