thieno[3,2-b]thiophene-2-boronic acid - CAS 160032-40-6
Catalog: |
BB011596 |
Product Name: |
thieno[3,2-b]thiophene-2-boronic acid |
CAS: |
160032-40-6 |
Synonyms: |
5-thieno[3,2-b]thiophenylboronic acid; thieno[3,2-b]thiophen-5-ylboronic acid |
IUPAC Name: | thieno[3,2-b]thiophen-5-ylboronic acid |
Description: | thieno[3,2-b]thiophene-2-boronic acid (CAS# 160032-40-6) is used in preparation and characterization of graphene-like conjugated heterocyclic benzphenanthrene discotic liquid crystal compounds and mesomorphism thereof. |
Molecular Weight: | 184.034 |
Molecular Formula: | C6H5BO2S2 |
Canonical SMILES: | B(C1=CC2=C(S1)C=CS2)(O)O |
InChI: | InChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H |
InChI Key: | PVQAASIVXYZXFF-UHFFFAOYSA-N |
Boiling Point: | 400.739 °C at 760 mmHg |
Density: | 1.517 g/cm3 |
Appearance: | Solid |
LogP: | 0.64260 |
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 |
JP-2020111737-A | Conjugated polymer, film forming composition, organic thin film, and organic semiconductor device | 20190109 |
CN-110896637-A | Pyrano quinazoline derivatives and naphthopyran derivatives | 20170314 |
EP-3597652-A1 | Pyranoquinazoline derivative and naphthopyran derivative | 20170314 |
KR-20190129922-A | Pyranoquinazoline Derivatives and Naphthopyran Derivatives | 20170314 |
US-2020131193-A1 | Pyranoquinazoline derivatives and naphthopyran derivatives | 20170314 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9824019 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9824019 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 96.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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