| CAS Number | 30439-31-7 |
| Catalog Number | AG01B8OU(AGN-PC-0R5S3J) |
| Chemical Name | 1-(2-(Methylthio)phenyl)ethanol |
| IUPAC Name | 1-(2-methylsulfanylphenyl)ethanol |
| InChI | InChI=1S/C9H12OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7,10H,1-2H3 |
| InChI Key | BZUCROKDRHBEBG-UHFFFAOYSA-N |
| MDL Number | MFCD18891395 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | CSC1=C(C(O)C)C=CC=C1 |
| Synonyms | 30439-31-7,
1-[2-(methylsulfanyl)phenyl]ethan-1-ol,
1-(2-(Methylthio)phenyl)ethanol,
1-[2-(Methylthio)phenyl]ethanol,
(1R)-1-[2-(methylsulfanyl)phenyl]ethan-1-ol,
1344938-35-7,
SCHEMBL19016906,
AKOS013148085,
Z2004563912,
(1S)-1-[2-(methylsulfanyl)phenyl]ethan-1-ol,
666743-52-8,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number