| CAS Number | 781658-06-8 |
| Catalog Number | AG019R82(AGN-PC-0UD1WJ) |
| Chemical Name | (1R)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol |
| IUPAC Name | (1R)-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-/m1/s1 |
| InChI Key | XRCBEPLEVWVPAD-SSDOTTSWSA-N |
| MDL Number | MFCD14705944 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.256 |
| SMILES | CSC1=CC=C([C@H](O)C)C=C1 |
| Synonyms | (1R)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol,
781658-06-8,
AC1Q4GXZ,
CTK7B4898,
(R)-1-(4-Methylthiophenyl)ethanol,
ZINC20030793,
AKOS011390781,
EN300-89232,
J3.634.336B,
(AlphaR)-alpha-methyl-4-(methylthio)benzenemethanol,
J-501744,
|
| 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