Basic information
- CAS
6631-79-4- Standard SMILES
O=[N+]([O-])c1ccc(SCN2CCCCC2)cc1- InChIKey
OSMZENFXZOWNLP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- 1-[(4-Nitrophenyl)sulfanylmethyl]piperidine
- IUPAC
- 1-[(4-nitrophenyl)sulfanylmethyl]piperidine
Names & synonyms
1-[(4-nitrophenyl)sulfanylmethyl]piperidine6631-79-41-{[(4-nitrophenyl)sulfanyl]methyl}piperidineNSC57930Piperidine,1-[[(4-nitrophenyl)thio]methyl]-DTXSID40288865NSC-57930DS-012251
Database identifiers
- CAS
6631-79-4- PubChem CID
- 245705
- DTXSID
DTXSID40288865
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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