1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde
Basic information
- CAS
61856-49-3- Standard SMILES
O=Cc1cccn(-c2ccccc2)c1=S- InChIKey
HWIVIFYITAJUPW-UHFFFAOYSA-N- Molecular formula
- C12H9NOS
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.04048508
Names & identifiers
- Preferred name
- 1,2-Dihydro-1-phenyl-2-thioxonicotinaldehyde
- IUPAC
- 1-phenyl-2-sulfanylidenepyridine-3-carbaldehyde
- English name
- 1,2-dihydro-1-phenyl-2-thioxonicotinaldehyde
- Molecular formula
- C12H9NOS
- Molecular weight
- 215.27
Names & synonyms
61856-49-31,2-Dihydro-1-phenyl-2-thioxonicotinaldehydeEINECS 263-280-51-Phenyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde1-phenyl-2-sulfanylidenepyridine-3-carbaldehyde6VDR6P7W36SCHEMBL11190800DTXSID902108331-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbaldehyde3-Formyl-1-phenyl-2(1H)-pyridinethioneNS000555681-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbaldehyde
Show more names
1,2-Dihydro-1-phenyl-2-thioxo-3-pyridinecarbaldehyde
1,2-Dihydro-1-phenyl-2-thioxo-3-pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 1,2-dihydro-1-phenyl-2-thioxo-
Database identifiers
- CAS
61856-49-3- PubChem CID
- 3017293
- DTXSID
DTXSID90210833- UNII
- 6VDR6P7W36
- EC Number
- 263-280-5
- Nikkaji
- J306.923K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…