| CAS Number | 1451041-77-2 |
| Catalog Number | AG01DIB4(AGN-PC-03H0HJ) |
| Chemical Name | 1H,2H,3H-pyrido[3,4-b][1,4]thiazin-2-one |
| IUPAC Name | 1H-pyrido[3,4-b][1,4]thiazin-2-one |
| InChI | InChI=1S/C7H6N2OS/c10-7-4-11-6-3-8-2-1-5(6)9-7/h1-3H,4H2,(H,9,10) |
| InChI Key | LFCWIGPZBILFHS-UHFFFAOYSA-N |
| MDL Number | MFCD28605613 |
| Molecular Formula | C7H6N2OS |
| Molecular Weight | 166.2003 |
| SMILES | O=C1CSc2cnccc2N1 |
| Synonyms | SCHEMBL6080195,
AS-63812,
1H-Pyrido[3,4-b][1,4]thiazine-2(3H)-one,
1H,2H,3H-pyrido[3,4-b][1,4]thiazin-2-one,
1451041-77-2,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.020084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.2g/mol |
| Monoisotopic Mass | 166.020084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number