| CAS Number | 1250287-78-5 |
| Catalog Number | AG000N04(AGN-PC-0WNGVI) |
| Chemical Name | ethyl 4-amino-1,1-dioxothiane-4-carboxylate |
| IUPAC Name | ethyl 4-amino-1,1-dioxothiane-4-carboxylate |
| InChI | InChI=1S/C8H15NO4S/c1-2-13-7(10)8(9)3-5-14(11,12)6-4-8/h2-6,9H2,1H3 |
| InChI Key | WTIHPLZPMBKXSZ-UHFFFAOYSA-N |
| MDL Number | MFCD16040232 |
| Molecular Formula | C8H15NO4S |
| Molecular Weight | 221.2740 |
| SMILES | CCOC(C1(CCS(=O)(=O)CC1)N)=O |
| Synonyms | ethyl 4-amino-1,1-dioxothiane-4-carboxylate,
1250287-78-5,
Ethyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate 1,1-dioxide,
MFCD16040232,
ZINC49732582,
AKOS010825968,
SB18542,
KS-0000069F,
AS-51075,
CS-0049475,
ethyl 4-amino-1,1-dioxo-1lambda-thiane-4-carboxylate,
2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-, ethyl ester, 1,1-dioxide,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.271g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number