4,8-Dioctylbenzo[1,2-b:4,5-b']dithiophene

HCID 58280892
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Basic information

Standard SMILES
CCCCCCCCc1c2ccsc2c(CCCCCCCC)c2ccsc12
InChIKey
ZSNVOJDAQVNIND-UHFFFAOYSA-N
Molecular formula
C26H38S2
Average molar mass
414.7 g/mol

Names & identifiers

Preferred name
4,8-Dioctylbenzo[1,2-b:4,5-b']dithiophene
IUPAC
4,8-dioctylthieno[2,3-f][1]benzothiole

Names & synonyms

4,8-dioctylbenzo[1,2-b:4,5-b']dithiopheneSCHEMBL861104ZSNVOJDAQVNIND-UHFFFAOYSA-N4,8-Dioctyl-benzo[1,2-b;4,5-b']dithiophene

Database identifiers

PubChem CID
58280892

Properties

Computed structural properties

XLogP
12.1
Topological polar surface area
56.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
28

Related reactions

4 records
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Compound notes

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