- InChI
- InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
- InChI Key
- KLGMSAOQDHLCOS-UHFFFAOYSA-N
- Formula
- C10H20NO5PS2
- SMILES
-
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)O
CC - Molecular Weight1
- 329.38
- Other Names
-
- 7-Oxa-5-thia-2-aza-6-phosphanonanoic acid, 6-ethoxy-2-methyl-3-oxo-, ethyl ester, 6-sulfide
- Afos
- Carbamic acid, (mercaptoacetyl)methyl-, ethyl ester, O,O-diethyl phosphorodithioate
- Carbamic acid, (mercaptoacetyl)methyl-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate
- Carbamic acid, (mercaptoacetyl)methyl-, ethyl ester, S-ester with O,O-diethyl phosphorodithioic acid
- Criotox
- Dithiophosphate de O,O-diethyle et de S-N-methyl N-carboethoxy carbamoylmethyle
- MC 474
- MS 1053
- MS 1143
- Marfotoks
- Mecarbame
- Mercarbam
- Muratox
- Murfotox
- Murphotox
- Murutox
- N-Ethoxycarbonyl-N-methylcarbamoylmethyl O,O-diethyl phosphorodithioate
- O,O-Diaethyl-S-(3-methyl-2,4-dioxo-5-oxa-3-aza-heptyl)-dithiophosphat
- O,O-Diethyl S-(N-ethoxycarbonyl-N-methylcarbamoylmethyl) phosphorodithioate
- O,O-Diethyl S-(N-ethoxycarbonyl-N-methylcarbamoylmethyl) phosphorothiolothionate
- O,O-Diethyl S-(N-methyl-N-carboethoxycarbamoylmethyl) dithiophosphate
- O,O-Diethyl-S-(3-methyl-2,4-dioxo-5-oxa-3-aza-heptyl)-dithiofosfaat
- O,O-Dietil-S-(N-etossi-carbonil-N-metil-carbamoil-metil)-ditiofosfato
- P 474
- Pennsalt TD 72
- Pestan
- Phosphorodithioic acid, O,O-diethyl ester, S-ester with ethyl (mercaptoacetyl)methylcarbamate
- S-((Ethoxycarbonyl)methylcarbamoyl)methyl O,O-diethyl phosphorodithioate
- S-(N-Ethoxycarbonyl-N-methylcarbamoylmethyl) O,O-diethyl phosphorodithioate
- S-(N-Ethoxycarbonyl-N-methylcarbamoylmethyl)-diethyl phosphorodithioate
- TD 72
- 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 84.93 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | [-2.52; -2.52] |
|
|
| log10WS | -2.52 | Aq. Solubility Prediction | |
| log10WS | -2.52 | Estimated Solubility | |
| logPoct/wat | 2.632 | Crippen Calculated Property | |
| McVol | 235.650 | ml/mol | McGowan Calculated Property |
| Inp | [2010.00; 2052.00] |
|
|
| Inp | 2052.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Inp | 2052.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Tfus | 277.57 | 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 Mecarbam.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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