| CAS Number | 76456-06-9 |
| Catalog Number | AG00G52W(AGN-PC-0NJP0O) |
| Chemical Name | S-Methyl-S-(2-pyridinyl) sulfoximine |
| IUPAC Name | imino-methyl-oxo-pyridin-2-yl-λ6-sulfane |
| InChI | InChI=1S/C6H8N2OS/c1-10(7,9)6-4-2-3-5-8-6/h2-5,7H,1H3 |
| InChI Key | MDNTYTKCIIHFIN-UHFFFAOYSA-N |
| MDL Number | MFCD09878530 |
| Molecular Formula | C6H8N2OS |
| Molecular Weight | 156.2055 |
| SMILES | O=S(C1=NC=CC=C1)(C)=N |
| Synonyms | S-Methyl-S-(2-pyridinyl) sulfoximine,
76456-06-9,
S-methyl-S-pyridyl-sulfoximine,
SCHEMBL15695399,
S-(2-Pyridinyl)-S-methylsulfoximine,
AKOS006312037,
S-Methyl-S-(2-pyridinyl) sulfoximine, 90% - 1G 1g,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.203g/mol |
| Monoisotopic Mass | 156.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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