(2,4-Dinitrophenyl) piperidine-1-carbodithioate
Basic information
- CAS
897-73-4- Standard SMILES
O=[N+]([O-])c1ccc(SC(=S)N2CCCCC2)c([N+](=O)[O-])c1- InChIKey
WGHMTMZWAILAPJ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4S2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.03474825
Names & identifiers
- Preferred name
- (2,4-Dinitrophenyl) piperidine-1-carbodithioate
- IUPAC
- (2,4-dinitrophenyl) piperidine-1-carbodithioate
Names & synonyms
897-73-4CHEMBL2158922(2,4-dinitrophenyl) piperidine-1-carbodithioateNSC3102502,4-dinitrophenyl piperidine-1-carbodithioateSCHEMBL19380471DTXSID80317047BDBM50393688NSC-310250PD134883
Database identifiers
- CAS
897-73-4- PubChem CID
- 329124
- DTXSID
DTXSID80317047- ChEMBL
CHEMBL2158922
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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