Methyl Thiophene-3-acetate - CAS 58414-52-1
Catalog: |
BB030031 |
Product Name: |
Methyl Thiophene-3-acetate |
CAS: |
58414-52-1 |
Synonyms: |
2-(3-thiophenyl)acetic acid methyl ester; methyl 2-thiophen-3-ylacetate |
IUPAC Name: | methyl 2-thiophen-3-ylacetate |
Description: | Methyl Thiophene-3-acetate (CAS# 58414-52-1 ) is a useful research chemical. |
Molecular Weight: | 156.20 |
Molecular Formula: | C7H8O2S |
Canonical SMILES: | COC(=O)CC1=CSC=C1 |
InChI: | InChI=1S/C7H8O2S/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3 |
InChI Key: | RZGRWVULDSXQSM-UHFFFAOYSA-N |
Boiling Point: | 118 °C (15 torr) |
Density: | 1.185 g/cm3 |
MDL: | MFCD00052947 |
LogP: | 1.46360 |
Publication Number | Title | Priority Date |
WO-2021027304-A1 | Analgesic compound, preparation method therefor, and pharmaceutical use thereof | 20190814 |
WO-2020249669-A1 | Sulfonamide derivatives and uses thereof | 20190612 |
WO-2019178324-A1 | Amino-benzoisothiazole and amino-benzoisothiadiazole amide compounds | 20180314 |
AU-2019234858-A1 | Amino-benzoisothiazole and amino-benzoisothiadiazole amide compounds | 20180314 |
EP-3765449-A1 | Amino-benzoisothiazole and amino-benzoisothiadiazole amide compounds | 20180314 |
PMID | Publication Date | Title | Journal |
17530748 | 20070621 | Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters | The journal of physical chemistry. A |
Complexity: | 125 |
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: | 3 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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