| CAS Number | 785803-74-9 |
| Catalog Number | AG00G9MP(AGN-PC-0WOJB9) |
| Chemical Name | Dimethyl 3-aminothiophene-2,5-dicarboxylate |
| IUPAC Name | dimethyl 3-aminothiophene-2,5-dicarboxylate |
| InChI | InChI=1S/C8H9NO4S/c1-12-7(10)5-3-4(9)6(14-5)8(11)13-2/h3H,9H2,1-2H3 |
| InChI Key | QFWYBXJEIDHWPZ-UHFFFAOYSA-N |
| MDL Number | MFCD22381979 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | NC1=C(SC(=C1)C(=O)OC)C(=O)OC |
| Synonyms | dimethyl 3-aminothiophene-2,5-dicarboxylate,
785803-74-9,
dimethyl3-aminothiophene-2,5-dicarboxylate,
SCHEMBL3239031,
KM1920,
ZINC95495596,
AKOS026673814,
CJ-22695,
FT-0747545,
V7763,
C8H9NO4S,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number