| CAS Number | 862500-32-1 |
| Catalog Number | AG00IDZ5(AGN-PC-0FKAX5) |
| Chemical Name | 4-(Cyclopentylsulfanyl)benzaldehyde |
| IUPAC Name | 4-cyclopentylsulfanylbenzaldehyde |
| InChI | InChI=1S/C12H14OS/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-9,11H,1-4H2 |
| InChI Key | OBQBKUFSLZFZEK-UHFFFAOYSA-N |
| MDL Number | MFCD18888034 |
| Molecular Formula | C12H14OS |
| Molecular Weight | 206.3040 |
| SMILES | O=Cc1ccc(cc1)SC1CCCC1 |
| Synonyms | 4-(Cyclopentylsulfanyl)benzaldehyde,
862500-32-1,
SCHEMBL2800024,
OBQBKUFSLZFZEK-UHFFFAOYSA-N,
Benzaldehyde, 4-(cyclopentylthio)-,
ZINC82594002,
AKOS013115273,
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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 | 206.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.303g/mol |
| Monoisotopic Mass | 206.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number