(4-Iodophenyl)(phenyl)sulfane
Basic information
- CAS
88519-49-7- Standard SMILES
Ic1ccc(Sc2ccccc2)cc1- InChIKey
SZOYJRZFRWCAEL-UHFFFAOYSA-N- Molecular formula
- C12H9IS
- Average molar mass
- 312.17 g/mol
- Monoisotopic mass
- 311.94697
Names & identifiers
- Preferred name
- (4-Iodophenyl)(phenyl)sulfane
- IUPAC
- 1-iodo-4-phenylsulfanylbenzene
Names & synonyms
(4-iodophenyl)(phenyl)sulfane88519-49-7Benzene, 1-iodo-4-(phenylthio)-1-iodo-4-phenylsulfanylbenzene1-Iodo-4-(phenylsulfanyl)benzeneSCHEMBL9440418DTXSID70545655MFCD22483328
Database identifiers
- CAS
88519-49-7- PubChem CID
- 13639561
- DTXSID
DTXSID70545655- Nikkaji
- J2.610.888H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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