| CAS Number | 1363992-79-3 |
| Catalog Number | AG01B8RY |
| Chemical Name | Methyl 4-Aminotetrahydro-2H-thiopyran-4-carboxylate 1,1-Dioxide Hydrochloride |
| IUPAC Name | methyl 4-amino-1,1-dioxothiane-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H13NO4S.ClH/c1-12-6(9)7(8)2-4-13(10,11)5-3-7;/h2-5,8H2,1H3;1H |
| InChI Key | RHMHBAVTPINPHG-UHFFFAOYSA-N |
| MDL Number | MFCD22375544 |
| Molecular Formula | C7H14ClNO4S |
| Molecular Weight | 243.7084 |
| SMILES | Cl.COC(C1(CCS(=O)(=O)CC1)N)=O |
| Synonyms | 1363992-79-3,
methyl 4-amino-1,1-dioxo-1lambda6-thiane-4-carboxylate hydrochloride,
Methyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate 1,1-dioxide hydrochloride,
MFCD22375544,
methyl 4-amino-1,1-dioxo-1lambda-thiane-4-carboxylate hydrochloride,
Methyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate 1,1-dioxide HCl,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.702g/mol |
| Monoisotopic Mass | 243.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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