Basic information
- CAS
6327-27-1- Standard SMILES
Oc1ccccc1/C=N\NC(=S)N/N=C/c1ccccc1O- InChIKey
IPCADHRTCDSGLW-UHFFFAOYSA-N- Molecular formula
- C15H14N4O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.08374688
Names & identifiers
- Preferred name
- 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
- IUPAC
- 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
- English name
- 1,3-bis[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
- Molecular formula
- C15H14N4O2S
- Molecular weight
- 314.36
Names & synonyms
MLS0026674046327-27-1NSC50827NSC-50827Carbonothioic dihydrazide, 2,2'-bis[(2-hydroxyphenyl)methylene]-1,3-bis[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
Database identifiers
- CAS
6327-27-1- PubChem CID
- 135408564
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 196 · 196-198 °C
- Boiling point
- 504.718 · 504.718±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.314 · 1.314±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.72 · 7.720±0.35(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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