| CAS Number | 78832-95-8 |
| Catalog Number | AG005P4G(AGN-PC-0NKIDO) |
| Chemical Name | 4-(Benzylthio)benzaldehyde |
| IUPAC Name | 4-benzylsulfanylbenzaldehyde |
| InChI | InChI=1S/C14H12OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2 |
| InChI Key | NAEZWYYYMVTEIV-UHFFFAOYSA-N |
| MDL Number | MFCD18887727 |
| Molecular Formula | C14H12OS |
| Molecular Weight | 228.3095 |
| SMILES | c1c(ccc(c1)C=O)SCc1ccccc1 |
| Synonyms | 4-(benzylsulfanyl)benzaldehyde,
78832-95-8,
Benzyl 4-formylphenyl sulfide,
Benzaldehyde, 4-[(phenylmethyl)thio]-,
4-(Benzylthio)benzaldehyde,
4-Benzylsulfanyl-benzaldehyde,
SCHEMBL510481,
4-(benzylsulfanyl)-benzaldehyde,
CTK2G4816,
DTXSID00511267,
NAEZWYYYMVTEIV-UHFFFAOYSA-N,
ZINC39310902,
AKOS013115543,
NE45674,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.309g/mol |
| Monoisotopic Mass | 228.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number