Furfural thiosemicarbazone
Basic information
- CAS
5419-96-5- Standard SMILES
NC(=S)NN=Cc1ccco1- InChIKey
ZLHKUOXVUSHCLN-UHFFFAOYSA-N- Molecular formula
- C6H7N3OS
- Average molar mass
- 169.21 g/mol
- Monoisotopic mass
- 169.03098303
Names & identifiers
- Preferred name
- Furfural thiosemicarbazone
- IUPAC
- (furan-2-ylmethylideneamino)thiourea
Names & synonyms
Furfural thiosemicarbazoneRefChem:607793C6H7N3OS(furan-2-ylmethylideneamino)thioureaSCHEMBL3071740AKOS017263674[(furan-2-ylmethylidene)amino]thiourea2-[(furan-2-yl)methylidene]hydrazine-1-carbothioamideF0017-0476
Database identifiers
- CAS
5419-96-5- PubChem CID
- 699319
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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