| CAS Number | 1085526-21-1 |
| Catalog Number | AG01B4XO |
| Chemical Name | TERT-BUTYL(IMINO)METHYL-LAMBDA6-SULFANONE |
| IUPAC Name | tert-butyl-imino-methyl-oxo-λ6-sulfane |
| InChI | InChI=1S/C5H13NOS/c1-5(2,3)8(4,6)7/h6H,1-4H3 |
| InChI Key | ZJUMQDAODKLMFI-UHFFFAOYSA-N |
| MDL Number | MFCD30497495 |
| Molecular Formula | C5H13NOS |
| Molecular Weight | 135.2278 |
| SMILES | CC(C)(C)S(=N)(=O)C |
| Synonyms | SCHEMBL2291498,
S-tert-Butyl-S-methylsulfoximine,
tert-butyl(imino)methyl-lambda6-sulfanone,
1085526-21-1,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.225g/mol |
| Monoisotopic Mass | 135.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number