Basic information
- CAS
19969-36-9- Standard SMILES
C1CCN(C2CSSC2)CC1.O=C(O)C(=O)O- InChIKey
GDCDDOJYIRGXBY-UHFFFAOYSA-N- Molecular formula
- C10H17NO4S2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.05990037
Names & identifiers
- Preferred name
- Piperidine, 1-(1,2-dithiolan-4-yl)-, oxalate (1:1)
- IUPAC
- 1-(dithiolan-4-yl)piperidine;oxalic acid
Names & synonyms
1-(1,2-Dithiolan-4-yl)piperidine oxalatePiperidine, 1-(1,2-dithiolan-4-yl)-, oxalate (1:1)19969-36-9DTXSID40173762RefChem:372875DTXCID2096253Oxalic acid--1-(1,2-dithiolan-4-yl)piperidine (1/1)
Database identifiers
- CAS
19969-36-9- PubChem CID
- 88320
- DTXSID
DTXSID40173762
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…