| CAS Number | 90674-24-1 |
| Catalog Number | AG00IG9D(AGN-PC-0WO5VR) |
| Chemical Name | 2-(Thiophen-2-yl)pent-4-yn-2-ol |
| IUPAC Name | 2-thiophen-2-ylpent-4-yn-2-ol |
| 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 |
| MDL Number | MFCD17167179 |
| Molecular Formula | C9H10OS |
| Molecular Weight | 166.2401 |
| SMILES | CC(C1SC=CC=1)(CC#C)O |
| Synonyms | 2-(thiophen-2-yl)pent-4-yn-2-ol,
90674-24-1,
2-(2-Thienyl)-4-pentyn-2-ol,
AC1Q2BPC,
SCHEMBL9014757,
AKOS012420151,
MCULE-2346844821,
NE26974,
SY047132,
EN300-68506,
MFCD17167179 (95%),
Z1259339749,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.238g/mol |
| Monoisotopic Mass | 166.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number