| CAS Number | 100431-21-8 |
| Catalog Number | AG0001ZS(AGN-PC-0OPO5E) |
| Chemical Name | (r)-mesityl phenyl sulfoxide |
| IUPAC Name | 1,3,5-trimethyl-2-[(R)-phenylsulfinyl]benzene |
| InChI | InChI=1S/C15H16OS/c1-11-9-12(2)15(13(3)10-11)17(16)14-7-5-4-6-8-14/h4-10H,1-3H3/t17-/m1/s1 |
| InChI Key | NPTGGTKSCLGSSS-QGZVFWFLSA-N |
| MDL Number | MFCD11707198 |
| Molecular Formula | C15H16OS |
| Molecular Weight | 244.3519 |
| SMILES | CC1=CC(C)=C(C(C)=C1)[S@](=O)C1=CC=CC=C1 |
| Synonyms | (R)-MESITYL PHENYL SULFOXIDE,
(R)-1,3,5-Trimethyl-2-(phenylsulfinyl)benzene,
100431-21-8,
MFCD11707198,
ZINC44139398,
AS-43867,
AX8267107,
X-3007,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.352g/mol |
| Monoisotopic Mass | 244.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number