| CAS Number | 172508-19-9 |
| Catalog Number | AG01EUD4(AGN-PC-0QA4W5) |
| Chemical Name | 1-(Thiophen-2-yl)butan-1-ol |
| IUPAC Name | 1-thiophen-2-ylbutan-1-ol |
| InChI | InChI=1S/C8H12OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,9H,2,4H2,1H3 |
| InChI Key | LZHDZNURJWUSJN-UHFFFAOYSA-N |
| MDL Number | MFCD03211784 |
| Molecular Formula | C8H12OS |
| Molecular Weight | 156.2453 |
| SMILES | C(C1=CC=CS1)(O)CCC |
| Synonyms | 1-(thiophen-2-yl)butan-1-ol,
(+/-)-a-Propyl-2-thiophenemethanol,
172508-19-9,
thienylbutanol,
1-(2-Thienyl)butanol,
a-Propyl-2-thiophenemethanol,
1-(2-Thienyl)-1-butanol,
SCHEMBL5834937,
AKOS003582757,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.243g/mol |
| Monoisotopic Mass | 156.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number