Basic information
- CAS
892160-23-5- Standard SMILES
CCCCc1c(-c2ccc(C#N)s2)[nH]c(-c2ccc(C#N)s2)c1CCCC- InChIKey
QDGDYYWJBPFSFI-UHFFFAOYSA-N- Molecular formula
- C22H23N3S2
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 393.13334009
Names & identifiers
- Preferred name
- 5,5'-(3,4-Dibutyl-1H-pyrrole-2,5-diyl)dithiophene-2-carbonitrile
- IUPAC
- 5-[3,4-dibutyl-5-(5-cyanothiophen-2-yl)-1H-pyrrol-2-yl]thiophene-2-carbonitrile
Names & synonyms
AKOS0244059455,5'-(3,4-DIBUTYL-1H-PYRROLE-2,5-DIYL)DITHIOPHENE-2-CARBONITRILE
Database identifiers
- CAS
892160-23-5- PubChem CID
- 4638751
- EC Number
- 123-376-9
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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