| CAS Number | 1261942-58-8 |
| Catalog Number | AG00HN2L(AGN-PC-0WRA2G) |
| Chemical Name | 4-(2-Methylthiophenyl)phenol |
| IUPAC Name | 4-(2-methylsulfanylphenyl)phenol |
| InChI | InChI=1S/C13H12OS/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9,14H,1H3 |
| InChI Key | RNTPTVOHSCYDPA-UHFFFAOYSA-N |
| MDL Number | MFCD18312851 |
| Molecular Formula | C13H12OS |
| Molecular Weight | 216.2988 |
| SMILES | CSc1ccccc1c1ccc(cc1)O |
| Synonyms | 4-(2-METHYLTHIOPHENYL)PHENOL,
1261942-58-8,
2'-(Methylthio)-[1,1'-biphenyl]-4-ol,
SCHEMBL4903196,
MFCD18312851,
ZINC65339992,
4-(2-methylthiophen-3-yl)phenol,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.298g/mol |
| Monoisotopic Mass | 216.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number