Basic information
- CAS
104601-39-0- Standard SMILES
c1ccc(-c2cccc3c2sc2ccccc23)cc1- InChIKey
BMCNAHBDZUYGJG-UHFFFAOYSA-N- Molecular formula
- C18H12S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.06597138
Names & identifiers
- Preferred name
- 4-Phenyldibenzothiophene
- IUPAC
- 4-phenyldibenzothiophene
- English name
- 4-Phenyldibenzothiophene
- Molecular formula
- C31H17N3O7S
- Molecular weight
- 575.55
Names & synonyms
4-Phenyldibenzothiophene104601-39-0DTXSID90423764RefChem:295520DTXCID50374602BMCNAHBDZUYGJG-UHFFFAOYSA-N98251-31-14-Phenyldibenzo[b,d]thiopheneMFCD02683728SCHEMBL2810404SCHEMBL7471897SCHEMBL10324974
Show more names
SCHEMBL15953266SCHEMBL15987505SCHEMBL21295599SCHEMBL21295648SCHEMBL21295750SCHEMBL21295781SCHEMBL21297031SCHEMBL29362337
Database identifiers
- CAS
104601-39-0- PubChem CID
- 6425932
- DTXSID
DTXSID90423764- Nikkaji
- J1.378.647J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Chemistry & industry
Suppliers3 total
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
5 records
Compound notes
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