3-(Prop-2-en-1-yl)thiolan-2-one
Basic information
- CAS
61540-16-7- Standard SMILES
C=CCC1CCSC1=O- InChIKey
GTWQFGISZURKAQ-UHFFFAOYSA-N- Molecular formula
- C7H10OS
- Average molar mass
- 142.22 g/mol
- Monoisotopic mass
- 142.04523611
Names & identifiers
- Preferred name
- 3-(Prop-2-en-1-yl)thiolan-2-one
- IUPAC
- 3-prop-2-enylthiolan-2-one
Names & synonyms
61540-16-73-(Prop-2-en-1-yl)thiolan-2-oneNSC273382SCHEMBL21648210DTXSID10313613NSC-273382
Database identifiers
- CAS
61540-16-7- PubChem CID
- 321540
- DTXSID
DTXSID10313613
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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