Cas no 1219-28-9 (3-Butyn-1-ol,4-[2,2'-bithiophen]-5-yl-, 1-acetate)

3-Butyn-1-ol,4-[2,2'-bithiophen]-5-yl-, 1-acetate structure
1219-28-9 structure
Product Name:3-Butyn-1-ol,4-[2,2'-bithiophen]-5-yl-, 1-acetate
CAS No:1219-28-9
MF:C14H12O2S2
MW:276.373881340027
CID:177930
PubChem ID:440356
Update Time:2025-04-19

3-Butyn-1-ol,4-[2,2'-bithiophen]-5-yl-, 1-acetate Chemical and Physical Properties

Names and Identifiers

    • 3-Butyn-1-ol,4-[2,2'-bithiophen]-5-yl-, 1-acetate
    • 3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-, acetate
    • 4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl acetate
    • 3-Butyn-1-ol, 4-[2,2'-bithiophen]-5-yl-, 1-acetate
    • 5-(4-acetoxy-1-butynyl)-2,2'-bithienyl
    • Q27102253
    • 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
    • 4-([2,2'-bithiophen]-5-yl)but-3-yn-1-yl acetate
    • 3-Butyn-1-ol, 4-[5-(2-thienyl)-2-thienyl]-, acetate
    • 5-(4-acetoxybut-1-ynyl)-2-2'-bithiophene
    • 3-Butyn-1-ol, 4-[2,2'-bithiophen]-5-yl-, acetate
    • SCHEMBL4738045
    • 5-(4-Acetoxyl-1-butynyl)-2,2'-dithiophene
    • 4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol acetate
    • 5-(4-acetoxy-1-butynyl)-2,2'-bithiophene
    • LMFA12000355
    • 4-(2,2'-Bithiophen-5-yl)but-3-yn-1-yl acetate
    • 1219-28-9
    • 4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-1-yl acetate
    • 4-(2,2'-bithien-5-yl)but-3-yn-1-yl acetate
    • DTXSID90153433
    • C04485
    • 5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE
    • CHEBI:17181
    • Inchi: 1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3
    • InChI Key: KHPAKGUGOFYJNA-UHFFFAOYSA-N
    • SMILES: S1C(C#CCCOC(C)=O)=CC=C1C1=CC=CS1

Computed Properties

  • Exact Mass: 276.02796
  • Monoisotopic Mass: 276.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 355
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • Density: 1.28
  • Boiling Point: 422.1°Cat760mmHg
  • Flash Point: 209.1°C
  • Refractive Index: 1.618
  • PSA: 26.3

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