5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
Basic information
- CAS
1233-95-0- Standard SMILES
CC(=O)OCC(C#Cc1ccc(-c2cccs2)s1)OC(C)=O- InChIKey
RGIIXLVKXLFDLP-UHFFFAOYSA-N- Molecular formula
- C16H14O4S2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.03335127
Overview
5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene is a member of 2,2'-bithiophenes, an acetate ester and an acetylenic compound.
Names & identifiers
- Preferred name
- 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene
- IUPAC
- [2-acetyloxy-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate
Names & synonyms
5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene[2-acetyloxy-4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl] acetate1-(2,2'-bithien-5-yl)but-1-yne-3,4-diyl diacetateC04606SCHEMBL8157406CHEMBL2252906CHEBI:16013RGIIXLVKXLFDLP-UHFFFAOYSA-NDTXSID801256602LMFA120003571233-95-05-(3,4-diacetoxy-1-butynyl)-2,2'-bithienyl
Show more names
5-(3,4-Diacetoxy-1-butenynyl)-2,2'-bithienyl5-(3,4-Diacetoxy-1-butenynyl)-2,2a(2)-bithienylQ270983391-([2,2'-Bithiophen]-5-yl)but-1-yne-3,4-diyl diacetate1-(2,2'-Bithiophen-5-yl)but-1-yne-3,4-diyl diacetate4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate3-Butyne-1,2-diol, 4-[2,2'-bithiophen]-5-yl-, diacetate3-Butyne-1,2-diol, 4-[2,2'-bithiophen]-5-yl-, 1,2-diacetate
Database identifiers
- CAS
1233-95-0- PubChem CID
- 440404
- DTXSID
DTXSID801256602- ChEMBL
CHEMBL2252906- ChEBI
CHEBI:16013- Nikkaji
- J410.279G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
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Related reactions
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Compound notes
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