HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Carbonothioic dihydrazide, 2,2'-bis[(2-hydroxyphenyl)methylene]- · 1,3-bis[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
![1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea molecular structure](/img/chemical/135408564.png)
Identifiers & Physical Properties
| CAS No. | 6327-27-1 |
|---|---|
| Molecular formula | C15H14N4O2S |
| Average molar mass | 314.4 g/mol |
| Monoisotopic mass | 314.08374688 g/mol |
| SMILES | Oc1ccccc1/C=N\NC(=S)N/N=C/c1ccccc1O |
| InChIKey | IPCADHRTCDSGLW-UHFFFAOYSA-N |
| PubChem CID | 135408564 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 121 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 380 |
| Melting point | 196-198 °C |
| Boiling point | 504.718±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.314±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 7.720±0.35(predicted) |