Basic information
- CAS
10437-67-9- Standard SMILES
O=S(c1ccccc1)c1ccc2cccccc1-2- InChIKey
IBFDUEYDXKRKHO-UHFFFAOYSA-N- Molecular formula
- C16H12OS
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.06088618
Names & identifiers
- Preferred name
- 1-(Phenylsulfinyl)azulene
- IUPAC
- 1-(benzenesulfinyl)azulene
Names & synonyms
10437-67-91-(phenylsulfinyl)azulene1-(benzenesulfinyl)azuleneNSC104308DTXSID20295698NSC-104308
Database identifiers
- CAS
10437-67-9- PubChem CID
- 266451
- DTXSID
DTXSID20295698
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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