3-Phenylthietane 1,1-dioxide
Basic information
- CAS
25636-64-0- Standard SMILES
O=S1(=O)CC(c2ccccc2)C1- InChIKey
YEKDROQJEGHJLD-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Names & identifiers
- Preferred name
- 3-Phenylthietane 1,1-dioxide
- IUPAC
- 3-phenylthietane 1,1-dioxide
Names & synonyms
3-phenylthietane 1,1-dioxide25636-64-0DTXSID60316250RefChem:281862DTXCID00267373NSC301420AKOS016015806NSC-3014203-Phenyl-1lambda~6~-thietane-1,1-dioneAD-310/30361043
Database identifiers
- CAS
25636-64-0- PubChem CID
- 327210
- DTXSID
DTXSID60316250
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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