- InChI
- InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
- InChI Key
- FBQQHUGEACOBDN-UHFFFAOYSA-N
- Formula
- C8H6N2OS2
- SMILES
- Cc1ccc2nc3sc(=O)sc3nc2c1
- Molecular Weight1
- 210.28
- CAS
- 2439-01-2
- Other Names
-
- 1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl-
- 6-Methyl-1,3-Dithiolo[4,5-b]quinoxalin-2-one
- 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate
- 6-Methyl-2,3-quinoxalinedithiol cyclic carbonate
- 6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate
- 6-Methyl-2-oxo-1,3-dithio[4,5-b]quinoxaline
- BAY 36205
- Bayer 36205
- Bayer 4964
- Carbonic acid, dithio-, cyclic S,S-(6-methyl-2,3-quinoxalinediyl) ester
- Carbonic acid, dithio-, cyclic S,S-ester with 6-methyl-2,3-quinoxalinedithiol
- Cetactaelate
- Chinomethionat
- Chinomethionate
- Daisonet XL 21
- ENT 25606
- Forstan
- MQD
- Morestan
- Morestan 2
- Morestane
- NSC 379587
- Oxythioquinox
- Quinomethionat
- SS 2074
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| logPoct/wat | 2.575 | Crippen Calculated Property | |
| McVol | 151.910 | ml/mol | McGowan Calculated Property |
| Inp | [2047.00; 2115.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2047.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Tboil | 628.21 | K | Relay (1.0) Calculated Property |
| Tfus | [443.15; 443.68] | K |
|
| Tfus | 443.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 443.68 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 29.92 | kJ/mol | 443.20 | NIST |
Similar Compounds
Find more compounds similar to Quinomethionate.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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