| CAS Number | 34878-40-5 |
| Catalog Number | AG01DWD3(AGN-PC-0RAA1O) |
| Chemical Name | 1-(5-methylthiophen-2-yl)ethan-1-ol |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethanol |
| InChI | InChI=1S/C7H10OS/c1-5-3-4-7(9-5)6(2)8/h3-4,6,8H,1-2H3 |
| InChI Key | HEXKZGQLEUXLFN-UHFFFAOYSA-N |
| MDL Number | MFCD07788309 |
| Molecular Formula | C7H10OS |
| Molecular Weight | 142.2187 |
| SMILES | CC(C1SC(C)=CC=1)O |
| Synonyms | 1-(5-methyl-2-thienyl)ethanol,
34878-40-5,
1-(5-Methylthiophen-2-yl)ethanol,
SCHEMBL506265,
HEXKZGQLEUXLFN-UHFFFAOYSA-N,
AKOS000249534,
2-Thiophenemethanol, alpha,5-dimethyl-,
(-)-2-(1-hydroxyethyl)-5-methylthiophene,
(+/-)-2-(1-Hydroxyethyl)-5-methylthiophene,
1-(5-METHYLTHIOPHEN-2-YL)ETHAN-1-OL,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.216g/mol |
| Monoisotopic Mass | 142.045g/mol |
| Rotatable Bond Count | 1 |
| 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