| CAS Number | 1007171-35-8 |
| Catalog Number | AG01C3K4 |
| Chemical Name | Methyl 3-((Tert-Butoxycarbonyl)Amino)-5-Iodothiophene-2-Carboxylate |
| IUPAC Name | methyl 5-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate |
| InChI | InChI=1S/C11H14INO4S/c1-11(2,3)17-10(15)13-6-5-7(12)18-8(6)9(14)16-4/h5H,1-4H3,(H,13,15) |
| InChI Key | LAVHSSNMRFDSLQ-UHFFFAOYSA-N |
| MDL Number | MFCD29762815 |
| Molecular Formula | C11H14INO4S |
| Molecular Weight | 383.2026 |
| SMILES | O=C(C1=C(NC(OC(C)(C)C)=O)C=C(I)S1)OC |
| Synonyms | 1007171-35-8,
methyl 3-{[(tert-butoxy)carbonyl]amino}-5-iodothiophene-2-carboxylate,
SCHEMBL4781956,
AKOS033901475,
ZINC142163179,
ACN-053819,
Z2412196587,
methyl 5-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.96883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.2g/mol |
| Monoisotopic Mass | 382.96883g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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