3-Hydroxy-5-hydroxymethyl-2-methyl-4-formylpyridine thiosemicarbazonato-Cu(II)
Basic information
- CAS
127913-88-6- Standard SMILES
Cc1ncc(CO)c(/C=N/N=C(/N)[S-])c1[O-].Cl.O.[Cu+2]- InChIKey
CRGPKXZHUCZTCF-VJOIEJINSA-L- Molecular formula
- C9H13ClCuN4O3S
- Average molar mass
- 356.29 g/mol
- Monoisotopic mass
- 354.969286
Names & identifiers
- Preferred name
- 3-Hydroxy-5-hydroxymethyl-2-methyl-4-formylpyridine thiosemicarbazonato-Cu(II)
- IUPAC
- copper;N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxido-4-pyridinyl]methylideneamino]carbamimidothioate;hydrate;hydrochloride
- English name
- copper-thiosemicarbazone complex
- Molecular formula
- C9H13ClCuN4O3S
- Molecular weight
- 356.28
Names & synonyms
127913-88-63-Hydroxy-5-hydroxymethyl-2-methyl-4-formylpyridine thiosemicarbazonato-Cu(II)Copper, aqua(2-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methylene)hydrazinecarbothioamidato(2-))-, monohydrochloridecopper-thiosemicarbazone complex
Database identifiers
- CAS
127913-88-6- PubChem CID
- 9577441
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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