Basic information
- CAS
51984-20-4- Standard SMILES
CCC(=O)Oc1ccc(C=NNC(N)=S)nc1- InChIKey
OYUAXYHBKMCVFP-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2S
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.06809681
Names & identifiers
- Preferred name
- 2-{[5-(Propanoyloxy)pyridin-2-yl]methylidene}hydrazine-1-carboximidothioic acid
- IUPAC
- [6-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] propanoate
Names & synonyms
51984-20-4DTXSID109663002-{[5-(Propanoyloxy)pyridin-2-yl]methylidene}hydrazine-1-carboximidothioic acid
Database identifiers
- CAS
51984-20-4- PubChem CID
- 3915752
- DTXSID
DTXSID10966300
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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