Basic information
- Standard SMILES
COc1cccc2c1sc1ccccc12- InChIKey
XISNFPLKXUIFRL-UHFFFAOYSA-N- Molecular formula
- C13H10OS
- Average molar mass
- 214.28 g/mol
Names & identifiers
- Preferred name
- 4-Methoxydibenzothiophene
- IUPAC
- 4-methoxydibenzothiophene
Names & synonyms
4-Methoxydibenzothiophene24444-74-44-methoxydibenzo[b,d]thiopheneMFCD000926774-Methoxy-dibenzothiopheneSCHEMBL3295801XISNFPLKXUIFRL-UHFFFAOYSA-Ndibenzo[b,d]thiophene, 4-methoxy-SY282553DB-332409CS-0196400E89396
Show more names
InChI=1/C13H10OS/c1-14-11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11/h2-8H,1H
Database identifiers
- PubChem CID
- 458354
- Nikkaji
- J2.910.649E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
8 records
Compound notes
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