9H-Xanthene, 9-(phenylthio)-
Basic information
- CAS
35595-00-7- Standard SMILES
c1ccc(SC2c3ccccc3Oc3ccccc32)cc1- InChIKey
FXPCOKDMVKVJNJ-UHFFFAOYSA-N- Molecular formula
- C19H14OS
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.07653624
Names & identifiers
- Preferred name
- 9H-Xanthene, 9-(phenylthio)-
- IUPAC
- 9-phenylsulfanyl-9H-xanthene
Names & synonyms
9H-Xanthene, 9-(phenylthio)-35595-00-7DTXSID80352650RefChem:313789DTXCID503037159-phenylsulfanyl-9H-xanthene9-(PHENYLSULFANYL)-9H-XANTHENEOprea1_598163MFCD02364329AKOS001700305
Database identifiers
- CAS
35595-00-7- PubChem CID
- 730871
- DTXSID
DTXSID80352650
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
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Related reactions
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Compound notes
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