2-Formyl-5-(4-methylthiophenyl)phenol - CAS 1261925-44-3
Catalog: |
BB064556 |
Product Name: |
2-Formyl-5-(4-methylthiophenyl)phenol |
CAS: |
1261925-44-3 |
Synonyms: |
3-Hydroxy-4'-(methylthio)-[1,1'-biphenyl]-4-carbaldehyde; 2-FORMYL-5-(4-METHYLTHIOPHENYL)PHENOL; 2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde |
IUPAC Name: | 2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde |
Description: | 2-Formyl-5-(4-methylthiophenyl)phenol |
Molecular Weight: | 218.27 |
Molecular Formula: | C12H10O2S |
Canonical SMILES: | CSC1=CC=C(C=C1)C2=CC(=C(C=C2)C=O)O |
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 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.05580079 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.05580079 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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