| CAS Number | 1803599-79-2 |
| Catalog Number | AG01B1DZ(AGN-PC-0WOQQ3) |
| Chemical Name | 3-Methylthiomorpholine 1,1-dioxide hydrochloride |
| IUPAC Name | 3-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride |
| InChI | InChI=1S/C5H11NO2S.ClH/c1-5-4-9(7,8)3-2-6-5;/h5-6H,2-4H2,1H3;1H |
| InChI Key | QMMVGYKZNPZHPV-UHFFFAOYSA-N |
| MDL Number | MFCD27980900 |
| Molecular Formula | C5H12ClNO2S |
| Molecular Weight | 185.6723 |
| SMILES | Cl.CC1NCCS(=O)(=O)C1 |
| Synonyms | 1803599-79-2,
3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride,
AKOS026741237,
NE17273,
3-methyl-1??,4-thiomorpholine-1,1-dione hydrochloride,
3-methyl-1lambda-thiomorpholine-1,1-dione hydrochloride,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.666g/mol |
| Monoisotopic Mass | 185.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number