Basic information
- CAS
89556-88-7- Standard SMILES
O=C1CCC(=O)N1CCCCC=C1SCCCS1- InChIKey
BPYOPYFBXNORMP-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.0857212
Names & identifiers
- Preferred name
- 1-[5-(1,3-Dithian-2-ylidene)pentyl]pyrrolidine-2,5-dione
- IUPAC
- 1-[5-(1,3-dithian-2-ylidene)pentyl]pyrrolidine-2,5-dione
Names & synonyms
89556-88-71-[5-(1,3-DITHIAN-2-YLIDENE)PENTYL]PYRROLIDINE-2,5-DIONEDTXSID40754333
Database identifiers
- CAS
89556-88-7- PubChem CID
- 71324924
- DTXSID
DTXSID40754333
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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