| CAS Number | 1033693-19-4 |
| Catalog Number | AG00HA1Y(AGN-PC-0WB5AT) |
| Chemical Name | 3-Methyl-2-(methylthio)phenol |
| IUPAC Name | 3-methyl-2-methylsulfanylphenol |
| InChI | InChI=1S/C8H10OS/c1-6-4-3-5-7(9)8(6)10-2/h3-5,9H,1-2H3 |
| InChI Key | LHKJYGSHGCSUTB-UHFFFAOYSA-N |
| MDL Number | MFCD10686635 |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.2294 |
| SMILES | C1(SC)C(C)=CC=CC=1O |
| Synonyms | 3-METHYL-2-(METHYLTHIO)PHENOL,
1033693-19-4,
Methylmercapto-m-Kresol,
3-methyl-2-methylthiophenol,
SCHEMBL11605537,
ALBB-024402,
phenol, 3-methyl-2-(methylthio)-,
ZX-AN022916,
ZX-CM007376,
FCH881278,
MFCD10686635,
ZINC19093286,
AKOS006305041,
MB08534,
MCULE-3778112813,
3-METHYL-2-(METHYLSULFANYL)PHENOL,
ST45004328,
Y-6406,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.227g/mol |
| Monoisotopic Mass | 154.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number