2-Methyl-3-thiopheneboronic Acid - CAS 177735-10-3
Catalog: |
BB013327 |
Product Name: |
2-Methyl-3-thiopheneboronic Acid |
CAS: |
177735-10-3 |
Synonyms: |
(2-methyl-3-thiophenyl)boronic acid; (2-methylthiophen-3-yl)boronic acid |
IUPAC Name: | (2-methylthiophen-3-yl)boronic acid |
Description: | 2-Methyl-3-thiopheneboronic Acid (CAS# 177735-10-3) is used as a reagent in the preparation of functionalized heterocycles as antiviral agents. |
Molecular Weight: | 141.98 |
Molecular Formula: | C5H7O2SB |
Canonical SMILES: | B(C1=C(SC=C1)C)(O)O |
InChI: | InChI=1S/C5H7BO2S/c1-4-5(6(7)8)2-3-9-4/h2-3,7-8H,1H3 |
InChI Key: | IOZXRAJFXAKLNI-UHFFFAOYSA-N |
MDL: | MFCD12032042 |
LogP: | -0.26370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021021951-A1 | Wdr5-myc inhibitors | 20190729 |
US-2020165249-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
WO-2020106816-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
TW-202033524-A | Functionalized heterocycles as antiviral agents | 20181121 |
CN-113271946-A | Functionalized heterocyclic compounds as antiviral agents | 20181121 |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.0259808 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.0259808 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Boronic Acids and Esters
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