2-(2-Thienyl)-4-pentyn-2-ol - CAS 90674-24-1
Catalog: |
BB039925 |
Product Name: |
2-(2-Thienyl)-4-pentyn-2-ol |
CAS: |
90674-24-1 |
Synonyms: |
2-thiophen-2-yl-4-pentyn-2-ol; 2-thiophen-2-ylpent-4-yn-2-ol |
IUPAC Name: | 2-thiophen-2-ylpent-4-yn-2-ol |
Description: | 2-(2-Thienyl)-4-pentyn-2-ol (CAS# 90674-24-1) is a useful research chemical. |
Molecular Weight: | 166.24 |
Molecular Formula: | C9H10OS |
Canonical SMILES: | CC(CC#C)(C1=CC=CS1)O |
InChI: | InChI=1S/C9H10OS/c1-3-6-9(2,10)8-5-4-7-11-8/h1,4-5,7,10H,6H2,2H3 |
InChI Key: | FRDXQRCETRRHQG-UHFFFAOYSA-N |
LogP: | 1.97890 |
Publication Number | Title | Priority Date |
EP-0404077-B1 | Process for producing propargylcarbinol compounds | 19890622 |
US-5258529-A | Process for producing propargylcarbinol compounds | 19890622 |
US-5523495-A | Process for producing propargylcarbinol compounds | 19890622 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04523611 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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