5-(Hydroxymethyl)thiophene-3-boronic Acid - CAS 1268683-45-9
Catalog: |
BB006689 |
Product Name: |
5-(Hydroxymethyl)thiophene-3-boronic Acid |
CAS: |
1268683-45-9 |
Synonyms: |
[5-(hydroxymethyl)-3-thiophenyl]boronic acid; [5-(hydroxymethyl)thiophen-3-yl]boronic acid |
IUPAC Name: | [5-(hydroxymethyl)thiophen-3-yl]boronic acid |
Description: | 5-(Hydroxymethyl)thiophene-3-boronic Acid (CAS# 1268683-45-9) is a useful research chemical compound. |
Molecular Weight: | 157.98 |
Molecular Formula: | C5H7O3SB |
Canonical SMILES: | B(C1=CSC(=C1)CO)(O)O |
InChI: | InChI=1S/C5H7BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7-9H,2H2 |
InChI Key: | KSCBULRYCWLXQG-UHFFFAOYSA-N |
LogP: | -1.07980 |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2019237344-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
KR-20200124759-A | Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same | 20180321 |
EP-3768675-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0208954 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0208954 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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