| CAS Number | 164297-25-0 |
| Catalog Number | AG001URE(AGN-PC-0Q8L0Q) |
| Chemical Name | Ferrocene, [(S)-(4-methylphenyl)sulfinyl]- |
| IUPAC Name | cyclopenta-1,3-diene;1-[(R)-cyclopenta-1,3-dien-1-ylsulfinyl]-4-methylbenzene;iron(2+) |
| InChI | InChI=1S/C12H11OS.C5H5.Fe/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/q2*-1;+2/t14-;;/m1../s1 |
| InChI Key | QAAXXGKGRWQHLR-FMOMHUKBSA-N |
| MDL Number | MFCD16885723 |
| Molecular Formula | C17H7FeOS |
| Molecular Weight | 315.1469 |
| SMILES | O=S(C1=CC=C(C)C=C1)[C-]23[Fe+2]456789%10([C-]%11C7=C8C9=C%10%11)C2=C4C5=C36 |
| Synonyms | 164297-25-0,
(S)-Ferrocenyl p-Tolyl Sulfoxide,
MFCD11973892,
(S)-(+)-(p-Toluenesulfinyl)ferrocene,
(S)-(p-Toluenesulfinyl)ferrocene,
T2546,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.219g/mol |
| Monoisotopic Mass | 324.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number