| CAS Number | 1261925-44-3 |
| Catalog Number | AG000S5L(AGN-PC-09Q1V8) |
| Chemical Name | 2-Formyl-5-(4-methylthiophenyl)phenol |
| IUPAC Name | 2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde |
| InChI | InChI=1S/C14H12O2S/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-15)14(16)8-11/h2-9,16H,1H3 |
| InChI Key | UOFAWYROSONALA-UHFFFAOYSA-N |
| MDL Number | MFCD18314725 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.3089 |
| SMILES | CSc1ccc(cc1)c1ccc(c(c1)O)C=O |
| Synonyms | 1261925-44-3,
3-Hydroxy-4'-(methylthio)-[1,1'-biphenyl]-4-carbaldehyde,
5104AA,
ANW-74935,
MFCD18314725,
ZINC65341909,
AJ-115336,
AX8243154,
TC-163680,
B-6891,
[1,1'-Biphenyl]-4-carboxaldehyde, 3-hydroxy-4'-(methylthio)-,
C14H12O2S,
2-FORMYL-5-(4-METHYLTHIOPHENYL)PHENOL,
2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.308g/mol |
| Monoisotopic Mass | 244.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^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