| CAS Number | 191724-06-8 |
| Catalog Number | AG00I2UD(AGN-PC-02MGCA) |
| Chemical Name | 4-(4-Methylthiophenyl)phenol |
| IUPAC Name | 4-(4-methylsulfanylphenyl)phenol |
| InChI | InChI=1S/C13H12OS/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,14H,1H3 |
| InChI Key | FXQHNPJGDOGEIJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802297 |
| Molecular Formula | C13H12OS |
| Molecular Weight | 216.2988 |
| SMILES | C1(C=CC(=CC=1)O)C1C=CC(=CC=1)SC |
| Synonyms | 191724-06-8,
4'-(Methylsulfanyl)[1,1'-biphenyl]-4-ol,
4-(4-METHYLTHIOPHENYL)PHENOL,
4'-(Methylthio)-[1,1'-biphenyl]-4-ol,
4'-(Methylthio)biphenyl-4-ol,
SCHEMBL10530044,
MFCD06802297,
ZINC16946950,
AKOS004116415,
BB 0223355,
[1,1'-Biphenyl]-4-ol, 4'-(methylthio)-,
K-5705,
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| Complexity | 179 |
| 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 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number