| CAS Number | 69785-97-3 |
| Catalog Number | AG005TMU(AGN-PC-0NJ0ZA) |
| Chemical Name | Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate |
| IUPAC Name | ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate |
| InChI | InChI=1S/C9H9N3O2S/c1-2-14-9(13)7-4-15-8-6(12-7)3-10-5-11-8/h3-5,12H,2H2,1H3 |
| InChI Key | QGKDEUWWLDPBNI-UHFFFAOYSA-N |
| MDL Number | MFCD19053252 |
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.2517 |
| SMILES | CCOC(=O)C1=CSc2ncncc2N1 |
| Synonyms | Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate,
69785-97-3,
CTK8B7553,
DTXSID50498978,
ANW-57657,
MFCD19053252,
AKOS016001471,
ZINC100026658,
DA-17583,
AX8216979,
TC-146402,
CS-0061598,
FT-0747328,
X6344,
C9H9N3O2S,
CB12073,
Ethyl5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.25g/mol |
| Monoisotopic Mass | 223.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number