2-(Pyridin-3-yl)-1lambda~4~-thiolan-1-one
Basic information
- CAS
89544-23-0- Standard SMILES
O=S1CCCC1c1cccnc1- InChIKey
YAXSVXNEQFGXSE-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- 2-(Pyridin-3-yl)-1lambda~4~-thiolan-1-one
- IUPAC
- 2-pyridin-3-ylthiolane 1-oxide
Names & synonyms
89544-23-02-(Pyridin-3-yl)-1lambda~4~-thiolan-1-oneSCHEMBL10670603DTXSID30602834
Database identifiers
- CAS
89544-23-0- PubChem CID
- 20135501
- DTXSID
DTXSID30602834
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
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Compound notes
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