| CAS Number | 1788719-27-6 |
| Catalog Number | AG01BDAL(AGN-PC-0WOR5Z) |
| Chemical Name | 3-(1-methyl-1H-pyrazol-4-yl)-1lambda4-thiomorpholin-1-one dihydrochloride |
| IUPAC Name | 3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1-oxide;dihydrochloride |
| InChI | InChI=1S/C8H13N3OS.2ClH/c1-11-5-7(4-10-11)8-6-13(12)3-2-9-8;;/h4-5,8-9H,2-3,6H2,1H3;2*1H |
| InChI Key | ZYVQRHFPSSVDPS-UHFFFAOYSA-N |
| MDL Number | MFCD28023785 |
| Molecular Formula | C8H15Cl2N3OS |
| Molecular Weight | 272.1952 |
| SMILES | Cl.Cl.CN1N=CC(C2NCCS(=O)C2)=C1 |
| Synonyms | 1788719-27-6,
3-(1-methyl-1H-pyrazol-4-yl)-1lambda4-thiomorpholin-1-one dihydrochloride,
AKOS026741539,
MCULE-6266188177,
Z1836338804,
3-(1-methyl-1H-pyrazol-4-yl)-1lambda-thiomorpholin-1-one dihydrochloride,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.188g/mol |
| Monoisotopic Mass | 271.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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