4-Methylthiophene-2-carboxylic acid - CAS 14282-78-1
Catalog: |
BB009450 |
Product Name: |
4-Methylthiophene-2-carboxylic acid |
CAS: |
14282-78-1 |
Synonyms: |
4-methylthiophene-2-carboxylic acid |
IUPAC Name: | 4-methylthiophene-2-carboxylic acid |
Description: | 4-Methylthiophene-2-carboxylic acid (CAS# 14282-78-1) is a useful research chemical. |
Molecular Weight: | 142.18 |
Molecular Formula: | C6H6O2S |
Canonical SMILES: | CC1=CSC(=C1)C(=O)O |
InChI: | InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8) |
InChI Key: | YCIVJGQMXZZPAB-UHFFFAOYSA-N |
Boiling Point: | 277.2 °C at 760 mmHg |
Density: | 1.319 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00089284 |
LogP: | 1.75470 |
GHS Hazard Statement: | H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 20190821 |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
WO-2021002473-A1 | Nrf2-activating compound | 20190703 |
US-10556889-B1 | Salvinorin derivatives | 20181219 |
PMID | Publication Date | Title | Journal |
19901994 | 20091110 | Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design | PloS one |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.00885060 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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