Methyl 3-Acetamidothiophene-2-carboxylate - CAS 22288-79-5
Catalog: |
BB017512 |
Product Name: |
Methyl 3-Acetamidothiophene-2-carboxylate |
CAS: |
22288-79-5 |
Synonyms: |
3-acetamido-2-thiophenecarboxylic acid methyl ester; methyl 3-acetamidothiophene-2-carboxylate |
IUPAC Name: | methyl 3-acetamidothiophene-2-carboxylate |
Description: | Methyl 3-Acetamidothiophene-2-carboxylate (CAS# 22288-79-5) is a useful research chemical. |
Molecular Weight: | 199.23 |
Molecular Formula: | C8H9NO3S |
Canonical SMILES: | CC(=O)NC1=C(SC=C1)C(=O)OC |
InChI: | InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10) |
InChI Key: | VVGYLIJOPUUXJN-UHFFFAOYSA-N |
Boiling Point: | 399.9 °C at 760 mmHg |
Density: | 1.329 g/cm3 |
MDL: | MFCD00100044 |
LogP: | 1.56610 |
Publication Number | Title | Priority Date |
WO-2020167628-A1 | Thioeno[3,2-b] pyridin-7-amine compounds for treating familial dysautonomia | 20190213 |
TW-202003524-A | Thienopyrimidinone compounds | 20180330 |
US-10584133-B2 | Thienopyrimidinone compounds | 20180330 |
US-2019322682-A1 | Thienopyrimidinone compounds | 20180330 |
CN-112313236-A | Thienopyrimidinone compounds | 20180330 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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