1,2-Dihydroacenaphtho[3,4-b]benzo[d]thiophene
Basic information
- CAS
15091-34-6- Standard SMILES
c1cc2c3c(c4sc5ccccc5c4cc3c1)CC2- InChIKey
KLNKZFDYZKMHSF-UHFFFAOYSA-N- Molecular formula
- C18H12S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.06597156
Names & identifiers
- Preferred name
- 1,2-Dihydroacenaphtho[3,4-b]benzo[d]thiophene
- IUPAC
- 3-thiapentacyclo[10.6.1.02,10.04,9.016,19]nonadeca-1(19),2(10),4,6,8,11,13,15-octaene
Names & synonyms
1,2-dihydroacenaphtho[3,4-b]benzo[d]thiopheneNSC33399DTXSID10283786NSC-33399
Database identifiers
- CAS
15091-34-6、18109-42-7- PubChem CID
- 234098
- DTXSID
DTXSID10283786
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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