5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
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Basic information
- Standard SMILES
O=C([O-])CCCCC1SCC2NC(=O)NC21- InChIKey
YBJHBAHKTGYVGT-UHFFFAOYSA-M- Molecular formula
- C10H15N2O3S-
- Average molar mass
- 243.31 g/mol
- Monoisotopic mass
- 243.08033852
Names & identifiers
- Preferred name
- 5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
- IUPAC
- 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
Database identifiers
- PubChem CID
- 20848890
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 292
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Related reactions
2 records
Compound notes
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