| CAS Number | 1357948-71-0 |
| Catalog Number | AG01AF96(AGN-PC-0WO0ZS) |
| Chemical Name | 5-Tert-butyl 2-methyl 3-amino-4H-thieno[2,3-C]pyrrole-2,5(6H)-dicarboxylate |
| IUPAC Name | 5-O-tert-butyl 2-O-methyl 3-amino-4,6-dihydrothieno[2,3-c]pyrrole-2,5-dicarboxylate |
| InChI | InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(17)15-5-7-8(6-15)20-10(9(7)14)11(16)18-4/h5-6,14H2,1-4H3 |
| InChI Key | QTDSBZKHMDNLMQ-UHFFFAOYSA-N |
| MDL Number | MFCD22690002 |
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.3580 |
| SMILES | COC(C1=C(N)C2=C(CN(C(OC(C)(C)C)=O)C2)S1)=O |
| Synonyms | 1357948-71-0,
5-TERT-BUTYL 2-METHYL 3-AMINO-4H-THIENO[2,3-C]PYRROLE-2,5(6H)-DICARBOXYLATE,
5-tert-butyl 2-methyl 3-amino-4H,5H,6H-thieno[2,3-c]pyrrole-2,5-dicarboxylate,
SCHEMBL624102,
MFCD22690002,
ZINC91692280,
AKOS026726397,
AS-38726,
EN300-152707,
5-t-Butyl 2-methyl 3-amino-4H-thieno[2,3-c]pyrrole-2,5(6H)-dicarboxylate,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.357g/mol |
| Monoisotopic Mass | 298.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number