2-Acetyl-4-methylthiophene - CAS 13679-73-7
Catalog: |
BB008417 |
Product Name: |
2-Acetyl-4-methylthiophene |
CAS: |
13679-73-7 |
Synonyms: |
1-(4-methylthiophen-2-yl)ethanone |
IUPAC Name: | 1-(4-methylthiophen-2-yl)ethanone |
Description: | 2-Acetyl-4-methylthiophene (CAS# 13679-73-7) is a useful research chemical. |
Molecular Weight: | 140.20 |
Molecular Formula: | C7H8OS |
Canonical SMILES: | CC1=CSC(=C1)C(=O)C |
InChI: | InChI=1S/C7H8OS/c1-5-3-7(6(2)8)9-4-5/h3-4H,1-2H3 |
InChI Key: | NFZNHUNPIJPRMP-UHFFFAOYSA-N |
Boiling Point: | 236.9 °C at 760 mmHg |
Purity: | 98.0 % (GC) |
Density: | 1.224 g/mL at 25 °C (lit.) |
Appearance: | Brown liquid |
MDL: | MFCD00027395 |
LogP: | 2.25910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021002473-A1 | Nrf2-activating compound | 20190703 |
US-2020399248-A1 | Pyrimidinone-containing compound, preparation method thereof, pharmaceutical composition and application thereof | 20180306 |
US-10214492-B2 | Heterocyclic inhibitors of MCT4 | 20161212 |
US-2018162822-A1 | Heterocyclic inhibitors of mct4 | 20161212 |
US-2019112275-A1 | Heterocyclic inhibitors of mct4 | 20161212 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02958605 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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