Benzo[b]thiophene-3-carboxylic Acid - CAS 5381-25-9
Catalog: |
BB028355 |
Product Name: |
Benzo[b]thiophene-3-carboxylic Acid |
CAS: |
5381-25-9 |
Synonyms: |
1-benzothiophene-3-carboxylic acid; 1-benzothiophene-3-carboxylic acid |
IUPAC Name: | 1-benzothiophene-3-carboxylic acid |
Description: | Benzo[b]thiophene-3-carboxylic Acid (CAS# 5381-25-9) is a useful research chemical. |
Molecular Weight: | 178.21 |
Molecular Formula: | C9H6O2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
InChI: | InChI=1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11) |
InChI Key: | DRBLTQNCQJXSNU-UHFFFAOYSA-N |
Boiling Point: | 376.2 °C at 760 mmHg |
Density: | 1.419 g/cm3 |
Appearance: | Powder |
MDL: | MFCD01846406 |
LogP: | 2.59950 |
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-2021200934-A1 | Antimalarial drug | 20200330 |
RU-2722595-C1 | Method of producing 4-formyl-6,7-dihydroxy-benzo[b]thiophene-3-carboxylic acid ester | 20191227 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
US-2020241414-A1 | Resist composition and patterning process | 20190129 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.00885060 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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