4-(Aminocarbonyl)-1-piperidinecarbodithioic acid
Basic information
- CAS
95480-31-2- Standard SMILES
NC(=O)C1CCN(C(=S)S)CC1- InChIKey
FWNLWTVFLHALPX-UHFFFAOYSA-N- Molecular formula
- C7H12N2OS2
- Average molar mass
- 204.3 g/mol
- Monoisotopic mass
- 204.03910536
Overview
structure given in first source; RN given refers to parent cpd; cadmium antagonist
Names & identifiers
- Preferred name
- 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid
- IUPAC
- 4-carbamoylpiperidine-1-carbodithioic acid
- English name
- 4-carboxamidopiperidine-N-dithiocarboxylate
- Molecular formula
- C7H12N2OS2
- Molecular weight
- 204.31
Names & synonyms
InadtcCap-N-dtc4-Carboxamidopiperidine-N-dithiocarboxylate95480-31-24-CarboxamidopiperidinedithiocarbamateSodium isonipecotamide dithiocarbamatepara-Carboxamidopiperidine-N-dithiocarboxylateDTXSID602418561-Piperidinecarbodithioic acid, 4-(aminocarbonyl)-, monosodium saltRefChem:912239DTXCID901643474-(Aminocarbonyl)-1-piperidinecarbodithioic acid
Show more names
Reaxys ID: 26942641
4-carbamoylpiperidine-1-carbodithioic acid4-Carboxamidopiperidine dithiocarbamate4-Carboxyamidopiperidine-N-dithiocarbamate1-Piperidinecarbodithioic acid, 4-(aminocarbonyl)-
Database identifiers
- CAS
95480-31-2- PubChem CID
- 125337
- DTXSID
DTXSID60241856
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 389.7 · 389.7±45.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 16.36 · 16.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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