| CAS Number | 73960-05-1 |
| Catalog Number | AG01A5YS |
| Chemical Name | 4-[(Difluoromethyl)sulfanyl]benzaldehyde |
| IUPAC Name | 4-(difluoromethylsulfanyl)benzaldehyde |
| InChI | InChI=1S/C8H6F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H |
| InChI Key | HCOPITURTVPVKB-UHFFFAOYSA-N |
| MDL Number | MFCD13188443 |
| Molecular Formula | C8H6F2OS |
| Molecular Weight | 188.1944 |
| SMILES | FC(SC1=CC=C(C=O)C=C1)F |
| Synonyms | 4-[(difluoromethyl)sulfanyl]benzaldehyde,
73960-05-1,
SCHEMBL11443874,
ZINC40544418,
NE15693,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.192g/mol |
| Monoisotopic Mass | 188.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number