Basic information
- CAS
87149-53-9- Standard SMILES
c1csc(-c2ccc(-c3ccsc3)s2)c1- InChIKey
AYFTWZXEBAYLHM-UHFFFAOYSA-N- Molecular formula
- C12H8S3
- Average molar mass
- 248.4 g/mol
- Monoisotopic mass
- 247.97881378
Overview
2,2':5',3''-terthiophene is a terthiophene.
Names & identifiers
- Preferred name
- 2,2':5',3''-Terthiophene
- IUPAC
- 2-thiophen-2-yl-5-thiophen-3-ylthiophene
Names & synonyms
2,2':5',3''-Terthiophene87149-53-9CHEBI:50082DTXSID60327902RefChem:80779DTXCID602790132-(thiophen-2-yl)-5-(thiophen-3-yl)thiophene2-thiophen-2-yl-5-thiophen-3-ylthiopheneMFCD12547018NSC7002262-(2-thienyl)-5-(3-thienyl)thiophene5-(thiophen-3-yl)-2,2'-bithiophene
Show more names
CHEMBL1983109SCHEMBL22734785AKOS0159550665-(thiophen-2-yl)-2,3'-bithiopheneNSC-700226NCI60_0359601~2~,2~2~:2~5~,3~3~-TerthiopheneQ27121895
Database identifiers
- CAS
87149-53-9- PubChem CID
- 395535
- DTXSID
DTXSID60327902- ChEMBL
CHEMBL1983109- ChEBI
CHEBI:50082
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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