Basic information
- CAS
63018-26-8- Standard SMILES
O=C1CC(SC(=S)C2CCCC2=O)C(=O)N1- InChIKey
OUJNDHJONCIDSS-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S2
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.01803556
Names & identifiers
- Preferred name
- (2,5-Dioxopyrrolidin-3-yl) 2-oxocyclopentane-1-carbodithioate
- IUPAC
- (2,5-dioxopyrrolidin-3-yl) 2-oxocyclopentane-1-carbodithioate
Names & synonyms
MLS00311577963018-26-8NSC303292CHEMBL1872442DTXSID80316414NSC-303292SMR0018313452,5-DIOXOPYRROLIDIN-3-YL 2-OXOCYCLOPENTANE-1-CARBODITHIOATE
Database identifiers
- CAS
63018-26-8- PubChem CID
- 327583
- DTXSID
DTXSID80316414- ChEMBL
CHEMBL1872442
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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