1-Piperazineacetic acid, 4-(dithiocarboxy)-, 1-ethyl ester, compd. with ethyl 1-piperazineacetate (1:1)
Basic information
- CAS
29140-80-5- Standard SMILES
CCOC(=O)CN1CCN(C(=S)S)CC1.CCOC(=O)CN1CCNCC1- InChIKey
DADXTLAWWNOUPG-UHFFFAOYSA-N- Molecular formula
- C17H32N4O4S2
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.18649786
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-(dithiocarboxy)-, 1-ethyl ester, compd. with ethyl 1-piperazineacetate (1:1)
- IUPAC
- 4-(2-ethoxy-2-oxoethyl)piperazine-1-carbodithioic acid;ethyl 2-piperazin-1-ylacetate
Names & synonyms
29140-80-5DTXSID40183407RefChem:233384DTXCID101058984-(2-Ethoxy-2-oxoethyl)piperazine-1-carbodithioic acid--ethyl (piperazin-1-yl)acetate (1/1)
Database identifiers
- CAS
29140-80-5- PubChem CID
- 207111
- DTXSID
DTXSID40183407
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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