Benzo[b]thiophene-2-carboxylic acid - CAS 6314-28-9
Catalog: |
BB032028 |
Product Name: |
Benzo[b]thiophene-2-carboxylic acid |
CAS: |
6314-28-9 |
Synonyms: |
1-benzothiophene-2-carboxylic acid; 1-benzothiophene-2-carboxylic acid |
IUPAC Name: | 1-benzothiophene-2-carboxylic acid |
Description: | Thianaphthene-2-carboxylic Acid (CAS# 6314-28-9) is a useful research chemical. |
Molecular Weight: | 178.21 |
Molecular Formula: | C9H6O2S |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(S2)C(=O)O |
InChI: | InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
InChI Key: | DYSJMQABFPKAQM-UHFFFAOYSA-N |
Boiling Point: | 376.2 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.419 g/cm3 |
MDL: | MFCD00051636 |
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 |
CN-112626246-A | Detection method for identifying three bacteria in milk through multiple PCR | 20210104 |
CN-112341423-A | Water-soluble alkyne amide condensing agent and preparation method and application thereof | 20201106 |
CN-112209930-A | Istradefylline derivative and preparation method and application thereof | 20201023 |
CN-111841896-A | Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof | 20200806 |
CN-212882455-U | Anti-sticking and temperature-control reaction kettle for producing 2, 4-diphenyl-1, 3, 5-triazine | 20200730 |
PMID | Publication Date | Title | Journal |
22019468 | 20111201 | Identification of novel CYP2A6 inhibitors by virtual screening | Bioorganic & medicinal chemistry |
21121661 | 20110115 | Metabolites indicate hot spots of biodegradation and biogeochemical gradients in a high-resolution monitoring well | Environmental science & technology |
19524435 | 20090801 | Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor | Bioorganic & medicinal chemistry letters |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
14750740 | 20040115 | Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer | Environmental science & technology |
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: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS