1,3-Dithiolane, 2-phenyl-, 1-oxide
Basic information
- CAS
89004-04-6- Standard SMILES
O=S1CCSC1c1ccccc1- InChIKey
IWWRMSOVOAHAGD-UHFFFAOYSA-N- Molecular formula
- C9H10OS2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.01730729
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-phenyl-, 1-oxide
- IUPAC
- 2-phenyl-1,3-dithiolane 1-oxide
Names & synonyms
89004-04-61,3-DITHIOLANE, 2-PHENYL-, 1-OXIDERefChem:10529422-Phenyl-1,3-dithiolane 1-oxideDTXSID8010085982-phenyl-[1,3]dithiolane 1-oxide2-Phenyl-1,3lambda~4~-dithiolan-1-one
Database identifiers
- CAS
89004-04-6- PubChem CID
- 55897
- DTXSID
DTXSID801008598- Nikkaji
- J284.792B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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