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Vanillin thiosemicarbazone

HCID 668121
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Basic information

CAS
5351-92-8
Standard SMILES
COc1cc(C=NNC(N)=S)ccc1O
InChIKey
FJQYXPHDGKUTQE-UHFFFAOYSA-N
Molecular formula
C9H11N3O2S
Average molar mass
225.27 g/mol
Monoisotopic mass
225.05719778

Names & identifiers

Preferred name
Vanillin thiosemicarbazone
IUPAC
[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea

Names & synonyms

vanillin thiosemicarbazoneSCHEMBL10709406DTXSID60968253AKOS0172637342-[(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazine-1-carboximidothioic acid

Database identifiers

CAS
5351-92-8
PubChem CID
668121
DTXSID
DTXSID60968253

Properties

Computed structural properties

XLogP
1
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
248

Related reactions

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Compound notes

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