| CAS Number | 87626-35-5 |
| Catalog Number | AG01A177(AGN-PC-0WO1MW) |
| Chemical Name | 4-(Pyridin-2-ylsulfanyl)benzaldehyde |
| IUPAC Name | 4-pyridin-2-ylsulfanylbenzaldehyde |
| InChI | InChI=1S/C12H9NOS/c14-9-10-4-6-11(7-5-10)15-12-3-1-2-8-13-12/h1-9H |
| InChI Key | DAWWZCAPLXRJDW-UHFFFAOYSA-N |
| MDL Number | MFCD18887757 |
| Molecular Formula | C12H9NOS |
| Molecular Weight | 215.271 |
| SMILES | O=CC1=CC=C(SC2=NC=CC=C2)C=C1 |
| Synonyms | 4-(pyridin-2-ylsulfanyl)benzaldehyde,
87626-35-5,
4-(2-pyridylthio)benzaldehyde,
SCHEMBL10992313,
DAWWZCAPLXRJDW-UHFFFAOYSA-N,
ZINC39634001,
AKOS013115197,
NE61755,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.27g/mol |
| Monoisotopic Mass | 215.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number