Basic information
- CAS
1152-26-7- Standard SMILES
CC(=O)OCC(O)C#Cc1ccc(-c2cccs2)s1- InChIKey
PNRXZPUOVXRYEX-UHFFFAOYSA-N- Molecular formula
- C14H12O3S2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.02278659
Overview
5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene is a member of 2,2'-bithiophenes, a secondary alcohol, an acetate ester and an acetylenic compound.
Names & identifiers
- Preferred name
- 5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
- IUPAC
- [2-hydroxy-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate
Names & synonyms
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene[2-hydroxy-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate1-acetoxy-4-[2,2']bithiophenyl-5-ylbut-3-yn-2-ol4-(2,2'-bithien-5-yl)-2-hydroxybut-3-yn-1-yl acetate5-(3-hydroxy-4-acetoxybut-1-ynyl}-2,2'-bithiophene.alpha.-TertiopheneC04711CHEBI:17229PNRXZPUOVXRYEX-UHFFFAOYSA-NDTXSID20137719195910-62-65-(3-hydroxy-4-acetatebut-1-ynyl)-2,2'-bithiophene
Show more names
Q271022723-Butyne-1,2-diol, 4-[2,2'-bithiophen]-5-yl-, 1-acetate4-([2,2'-Bithiophen]-5-yl)-2-hydroxybut-3-yn-1-yl acetate4-(2,2'-Bithiophen-5-yl)-2-hydroxybut-3-yn-1-yl acetate
Database identifiers
- CAS
1152-26-7、95910-62-6- PubChem CID
- 440451
- DTXSID
DTXSID201377191- ChEBI
CHEBI:17229- Nikkaji
- J410.281I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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