| CAS Number | 150350-28-0 |
| Catalog Number | AG001MJ9(AGN-PC-02JDT8) |
| Chemical Name | Propanal, 3-[(triphenylmethyl)thio]- |
| IUPAC Name | 3-tritylsulfanylpropanal |
| InChI | InChI=1S/C22H20OS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17H,10,18H2 |
| InChI Key | ATCUEUQVJVXGLH-UHFFFAOYSA-N |
| MDL Number | MFCD18909643 |
| Molecular Formula | C22H20OS |
| Molecular Weight | 332.4586 |
| SMILES | O=CCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonyms | 3-(TRITYLTHIO)PROPANAL,
150350-28-0,
Propanal, 3-[(triphenylmethyl)thio]-,
3-Tritylsulfanylpropanal,
ACMC-20n5yl,
SCHEMBL1526445,
3-Tritylsulfanyl-propionaldehyde,
CTK0B1673,
DTXSID00599469,
ATCUEUQVJVXGLH-UHFFFAOYSA-N,
ACT08928,
MFCD18909643,
ZINC91690515,
3-[(Triphenylmethyl)sulfanyl]propanal,
CJ-22647,
CS-0060496,
FT-0736649,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.461g/mol |
| Monoisotopic Mass | 332.123g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number