Benzothiazole-5-boronic Acid Pinacol Ester - CAS 1073354-91-2
Catalog: |
BB002056 |
Product Name: |
Benzothiazole-5-boronic Acid Pinacol Ester |
CAS: |
1073354-91-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole |
Description: | Benzothiazole-5-boronic Acid Pinacol Ester (CAS# 1073354-91-2) is a useful research chemical. |
Molecular Weight: | 261.15 |
Molecular Formula: | C13H16NO2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC=N3 |
InChI: | InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-5-6-11-10(7-9)15-8-18-11/h5-8H,1-4H3 |
InChI Key: | MGOKEBHEDJCRQN-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD09260439 |
LogP: | 2.59550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021094208-A1 | Substituted imidazo pyrimidine ep3 antagonists | 20191112 |
KR-20200073503-A | Triazolopyridine-3-one derivatives or its salt and pharmaceutical compositions comprising the same | 20181214 |
KR-20200123846-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-10351552-B2 | Bicyclic antiparasitic compounds | 20171207 |
US-2019177304-A1 | Bicyclic Antiparasitic Compounds | 20171207 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0994801 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0994801 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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