Basic information
- CAS
21732-47-8- Standard SMILES
c1csc(-c2csc(-c3cccs3)c2)c1- InChIKey
DNAIRPZIPJONCV-UHFFFAOYSA-N- Molecular formula
- C12H8S3
- Average molar mass
- 248.4 g/mol
- Monoisotopic mass
- 247.97881378
Overview
2,2':4',2''-terthiophene is a terthiophene.
Names & identifiers
- Preferred name
- 2,2':4',2''-Terthiophene
- IUPAC
- 2,4-dithiophen-2-ylthiophene
- English name
- 2,2':4',2''-Terthiophene
- Molecular formula
- C12H8S3
- Molecular weight
- 248.39
Names & synonyms
2,2':4',2''-Terthiophene21732-47-8CHEBI:50090DTXSID40327900RefChem:80777DTXCID40279011DNAIRPZIPJONCV-UHFFFAOYSA-NNSC7002242,4-dithiophen-2-ylthiophene2,4-bis(2-thienyl)thiopheneCHEMBL1977153SCHEMBL22733865
Show more names
NSC-700224NCI60_0359581~2~,2~2~:2~4~,3~2~-TerthiopheneQ27121899
Database identifiers
- CAS
21732-47-8- PubChem CID
- 395533
- DTXSID
DTXSID40327900- ChEMBL
CHEMBL1977153- ChEBI
CHEBI:50090- Nikkaji
- J102.959B
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
Physicochemical properties
- Melting point
- 53 · 53-54 °C (decomp)
- Boiling point
- 337.9 · 337.9±32.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
Additional notes
DefinitionChEBI: 2,2':4',2''-terthiophene is a terthiophene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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