| CAS Number | 179613-06-0 |
| Catalog Number | AG019R85(AGN-PC-0QBM56) |
| Chemical Name | (1S)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol |
| IUPAC Name | (1S)-1-(4-methylsulfanylphenyl)ethanol |
| InChI | InChI=1S/C9H12OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1 |
| InChI Key | XRCBEPLEVWVPAD-ZETCQYMHSA-N |
| MDL Number | MFCD14705948 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | CSC1=CC=C([C@@H](O)C)C=C1 |
| Synonyms | (1S)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol,
179613-06-0,
AC1Q4GY2,
CTK7B4896,
ZINC20030796,
AKOS017463696,
EN300-89240,
CID11469304,
(1S)-1-(4-methylsulfanylphenyl)ethanol,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number