Basic information
- Standard SMILES
O=[N+]([O-])CC(SC(=S)N1CCCCC1)c1ccccc1- InChIKey
WYTYKOLXGXYDGB-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2S2
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- alpha-(Nitromethyl)benzyl 1-piperidinecarbodithioate
- IUPAC
- (2-nitro-1-phenylethyl) piperidine-1-carbodithioate
Names & synonyms
SCHEMBL11525358WYTYKOLXGXYDGB-UHFFFAOYSA-Nalpha-(nitromethyl)benzyl 1-piperidinecarbodithioate
Database identifiers
- PubChem CID
- 11266906
- Nikkaji
- J1.613.673E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
4 records
Compound notes
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