3-Phenylsulfanylthietane 1,1-dioxide
Basic information
- CAS
75299-22-8- Standard SMILES
O=S1(=O)CC(Sc2ccccc2)C1- InChIKey
VSRPCFOCEHDNOE-UHFFFAOYSA-N- Molecular formula
- C9H10O2S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.0122219
Names & identifiers
- Preferred name
- 3-Phenylsulfanylthietane 1,1-dioxide
- IUPAC
- 3-phenylsulfanylthietane 1,1-dioxide
Names & synonyms
3-phenylsulfanylthietane 1,1-dioxide75299-22-83-phenylsulfanyl-thietane 1,1-dioxideNSC301415DTXSID10316245NSC-3014153-(phenylsulfanyl)thietane-1,1-dioxideDS-0049563-(Phenylsulfanyl)-1lambda~6~-thietane-1,1-dione
Database identifiers
- CAS
75299-22-8- PubChem CID
- 327205
- DTXSID
DTXSID10316245
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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