| CAS Number | 1372985-72-2 |
| Catalog Number | AG01EJN2 |
| Chemical Name | methyl 6-amino-2H,3H,4H-thieno[2,3-b]pyran-5-carboxylate |
| IUPAC Name | methyl 6-amino-3,4-dihydro-2H-thieno[2,3-b]pyran-5-carboxylate |
| InChI | InChI=1S/C9H11NO3S/c1-12-8(11)6-5-3-2-4-13-9(5)14-7(6)10/h2-4,10H2,1H3 |
| InChI Key | ITTZDJCMEFPZTN-UHFFFAOYSA-N |
| MDL Number | MFCD31616545 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | NC1=C(C2=C(OCCC2)S1)C(=O)OC |
| Synonyms | SCHEMBL15200410,
AKOS034139114,
methyl 6-amino-2H,3H,4H-thieno[2,3-b]pyran-5-carboxylate,
1372985-72-2,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number