- InChI
- InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)
- InChI Key
- GDTZUQIYUMGJRT-UHFFFAOYSA-N
- Formula
- C7H16NO4PS2
- SMILES
- COCCNC(=O)CSP(=S)(OC)OC
- Molecular Weight1
- 273.32
- Other Names
-
- Phosphorodithioic acid, S-[2-[(2-methoxyethyl)amino]-2-oxoethyl] O,O-dimethyl ester
- Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-(2-methoxyethyl)acetamide
- CIBA Thiocron
- ENT 27,160
- Thiocron
- Thiocron 30
- Thiocron 30 Ciba
- Amidithione
- Acetamide, 2-mercapto-N-(2-methoxyethyl)-, S-ester with O,O-dimethyl phosphorodithioate
- Amidiphos
- C 2446
- CIBA 2446
- O,O-Dimethyl-S-(2-methoxyethylcarbamoylmethyl)dithiophosphate
- O,O-Dimethyl S-(2-methoxyethylcarbamoyl methyl) phosphorodithioate
- Medithionat
- S-(2-((2-Methoxyethyl)amino-2-oxoethyl) O,O-dimethyl) phosphorodithioate
- S-(N-2-Methoxyethylcarbamoylmethyl)dimethyl phophorothiolothionate
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 78.72 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.000 | Crippen Calculated Property | |
| McVol | 191.810 | ml/mol | McGowan Calculated Property |
| Tfus | 277.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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
Find more compounds similar to Amidithion.
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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