Basic information
- CAS
58973-23-2- Standard SMILES
CCCCCCCCN1CCCC1=S- InChIKey
MNNZVKGBOOYGGR-UHFFFAOYSA-N- Molecular formula
- C12H23NS
- Average molar mass
- 213.38 g/mol
- Monoisotopic mass
- 213.15512091
Names & identifiers
- Preferred name
- 2-Pyrrolidinethione, 1-octyl-
- IUPAC
- 1-octylpyrrolidine-2-thione
- English name
- 2-Pyrrolidinethione, 1-octyl-
- Molecular formula
- C12H23NS
- Molecular weight
- 213.38
Names & synonyms
2-Pyrrolidinethione, 1-octyl-SCHEMBL944018858973-23-2DB-324161N-octyl-γ-thiolactam
Database identifiers
- CAS
58973-23-2- PubChem CID
- 19736095
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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