1,3-Dithiolane, 2-phenyl-, 1,3-dioxide
Basic information
- CAS
95478-10-7- Standard SMILES
O=S1CCS(=O)C1c1ccccc1- InChIKey
KJSUZGMJMPKXGP-UHFFFAOYSA-N- Molecular formula
- C9H10O2S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.0122219
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-phenyl-, 1,3-dioxide
- IUPAC
- 2-phenyl-1,3-dithiolane 1,3-dioxide
Names & synonyms
95478-10-71,3-DITHIOLANE, 2-PHENYL-, 1,3-DIOXIDERefChem:10529412-Phenyl-1,3-dithiolane 1,3-dioxideBRN 5519020NSC603582DTXSID00914976NSC-6035822-Phenyl-1lambda~4~,3lambda~4~-dithiolane-1,3-dione
Database identifiers
- CAS
95478-10-7- PubChem CID
- 56911
- DTXSID
DTXSID00914976- Nikkaji
- J360.995B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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