Basic information
- CAS
2032-48-6- Standard SMILES
Oc1ccccc1C(=S)N1CCCCC1- InChIKey
FDEJXMBAYGPUFC-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.08743528
Overview
6-[mercapto(1-piperidinyl)methylidene]-1-cyclohexa-2,4-dienone is a member of quinomethanes.
Names & identifiers
- Preferred name
- (2-Hydroxyphenyl)-1-piperidinylmethanethione
- IUPAC
- (2-hydroxyphenyl)-piperidin-1-ylmethanethione
- English name
- N-Piperidinylthiosalicylamide
- Molecular formula
- C12H15NOS
- Molecular weight
- 221.32
Names & synonyms
2032-48-6(2-Hydroxyphenyl)-1-piperidinylmethanethioneDTXSID701258300RefChem:1049702DTXCID801689031N-Piperidinylthiosalicylamide1-(Thiosalicyloyl)piperidine(2-hydroxyphenyl)-piperidin-1-ylmethanethionePIPERIDINE, 1-(THIOSALICYLOYL)-Piperidine, 1-((2-hydroxyphenyl)thioxomethyl)-BRN 0171618CBMicro_028871
Show more names
Methanethione, (2-hydroxyphenyl)-1-piperidinyl-
(2-hydroxyphenyl)(piperidin-1-yl)methanethioneMLS000108075CHEMBL1327936CHEBI:121525FDEJXMBAYGPUFC-UHFFFAOYSA-NHMS2186K082-(1-Piperidinylcarbothioyl)phenol2-(1-Piperidinylcarbothioyl)phenol #
Database identifiers
- CAS
2032-48-6- PubChem CID
- 16246
- DTXSID
DTXSID701258300- ChEMBL
CHEMBL1327936- ChEBI
CHEBI:121525- Nikkaji
- J1.682.511E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 348.1 · 348.1±44.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 8.85 · 8.85±0.35(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: 6-[mercapto(1-piperidinyl)methylidene]-1-cyclohexa-2,4-dienone is a member of quinomethanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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