| CAS Number | 1361218-99-6 |
| Catalog Number | AG01AUUT |
| Chemical Name | 3-cyclopropyl-1lambda6-thiomorpholine-1,1-dione hydrochloride |
| IUPAC Name | 3-cyclopropyl-1,4-thiazinane 1,1-dioxide;hydrochloride |
| InChI | InChI=1S/C7H13NO2S.ClH/c9-11(10)4-3-8-7(5-11)6-1-2-6;/h6-8H,1-5H2;1H |
| InChI Key | IEPNXPZDCJUYMB-UHFFFAOYSA-N |
| MDL Number | MFCD29041217 |
| Molecular Formula | C7H14ClNO2S |
| Molecular Weight | 211.7096 |
| SMILES | O=S1(CCNC(C2CC2)C1)=O.Cl |
| Synonyms | 1361218-99-6,
3-cyclopropyl-1lambda6-thiomorpholine-1,1-dione hydrochloride,
SCHEMBL17240,
IEPNXPZDCJUYMB-UHFFFAOYSA-N,
3-cyclopropylthiomorpholine 1,1-dioxide hydrochloride,
Z2235790622,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.704g/mol |
| Monoisotopic Mass | 211.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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