Methyl 2-Methylthiophene-3-carboxylate - CAS 53562-51-9
Catalog: |
BB028268 |
Product Name: |
Methyl 2-Methylthiophene-3-carboxylate |
CAS: |
53562-51-9 |
Synonyms: |
2-methyl-3-thiophenecarboxylic acid methyl ester; methyl 2-methylthiophene-3-carboxylate |
IUPAC Name: | methyl 2-methylthiophene-3-carboxylate |
Description: | Methyl 2-Methylthiophene-3-carboxylate (CAS# 53562-51-9) is a useful research chemical. |
Molecular Weight: | 156.20 |
Molecular Formula: | C7H8O2S |
Canonical SMILES: | CC1=C(C=CS1)C(=O)OC |
InChI: | InChI=1S/C7H8O2S/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3 |
InChI Key: | CCNDEWOBDKZGAD-UHFFFAOYSA-N |
Boiling Point: | 202.412 ℃ at 760 mmHg |
Density: | 1.174 g/cm3 |
MDL: | MFCD12026360 |
LogP: | 1.84310 |
Publication Number | Title | Priority Date |
CN-112457326-A | Aromatic heterocyclic lactam compound, preparation method and application | 20190906 |
WO-2021028382-A1 | [1,2,4]triazolo[1,5-c]quinazolin-5-amines | 20190812 |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
CN-113227055-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181116 |
EP-3880658-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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