6-[(4-Methylphenyl)thio]-3-pyridinecarboxaldehyde oxime
Basic information
- CAS
338960-61-5- Standard SMILES
Cc1ccc(Sc2ccc(C=NO)cn2)cc1- InChIKey
XKHVJLPRNQUQJI-UHFFFAOYSA-N- Molecular formula
- C13H12N2OS
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.06703418
Names & identifiers
- Preferred name
- 6-[(4-Methylphenyl)thio]-3-pyridinecarboxaldehyde oxime
- IUPAC
- N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methylidene]hydroxylamine
Names & synonyms
DTXSID0012045406-[(4-Methylphenyl)thio]-3-pyridinecarboxaldehyde oximeN-({6-[(4-METHYLPHENYL)SULFANYL]PYRIDIN-3-YL}METHYLIDENE)HYDROXYLAMINE
Database identifiers
- CAS
338960-61-5- PubChem CID
- 1479481
- DTXSID
DTXSID001204540
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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