3-Methylenedihydro-2(3H)-thiophenone
Basic information
- CAS
62033-73-2- Standard SMILES
C=C1CCSC1=O- InChIKey
JUUKFOZCNXCFPT-UHFFFAOYSA-N- Molecular formula
- C5H6OS
- Average molar mass
- 114.17 g/mol
- Monoisotopic mass
- 114.01393598
Names & identifiers
- Preferred name
- 3-Methylenedihydro-2(3H)-thiophenone
- IUPAC
- 3-methylidenethiolan-2-one
Names & synonyms
3-Methylenedihydro-2(3H)-thiophenone3-methylidenethiolan-2-oneDihydrothiophene, 3-methylene-2-one62033-73-2SCHEMBL26081435SCHEMBL27535079DTXSID20338377JUUKFOZCNXCFPT-UHFFFAOYSA-N3-methylene-tetrahydro-thiophen-2-one3-Methylenedihydro-2(3H)-thiophenone #
Database identifiers
- CAS
62033-73-2- PubChem CID
- 548789
- DTXSID
DTXSID20338377
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…