3-Butyn-1-ol, 4,4'-(2,2'-bithiophene)-5,5'-diylbis-
Basic information
- CAS
117205-69-3- Standard SMILES
OCCC#Cc1ccc(-c2ccc(C#CCCO)s2)s1- InChIKey
UTYQUJSIWTUNII-UHFFFAOYSA-N- Molecular formula
- C16H14O2S2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.04352203
Names & identifiers
- Preferred name
- 3-Butyn-1-ol, 4,4'-(2,2'-bithiophene)-5,5'-diylbis-
- IUPAC
- 4-[5-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]thiophen-2-yl]but-3-yn-1-ol
Names & synonyms
117205-69-33-Butyn-1-ol, 4,4'-(2,2'-bithiophene)-5,5'-diylbis-4,4'-([2,2'-Bithiophene]-5,5'-diyl)bis(but-3-yn-1-ol)3-Butyn-1-ol, 4,4'-[2,2'-bithiophene]-5,5'-diylbis-DTXSID001517234-(5-(5-(4-Hydroxybut-1-ynyl)thiophen-2-yl)thiophen-2-yl)but-3-yn-1-ol4,4'-([2,2'-Bithiophene]-5,5'-diyl)di(but-3-yn-1-ol)4-[5-[5-(4-hydroxybut-1-ynyl)-2-thienyl]-2-thienyl]but-3-yn-1-ol
Database identifiers
- CAS
117205-69-3- PubChem CID
- 189477
- DTXSID
DTXSID00151723
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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