1-(2-Thienyl)-1-propanone - CAS 13679-75-9
Catalog: |
BB008419 |
Product Name: |
1-(2-Thienyl)-1-propanone |
CAS: |
13679-75-9 |
Synonyms: |
1-Propanone, 1-(2-thienyl)-; 1-(Thiophen-2-yl)propan-1-one; 2-Propanoylthiophene; 2-Propionylthiophene; Ethyl 2-thienyl ketone; NSC 76041 |
Related CAS: | 213611-32-6 (Deleted CAS)
|
IUPAC Name: | 1-thiophen-2-ylpropan-1-one |
Description: | 1-(2-Thienyl)-1-propanone (CAS# 13679-75-9) is used in the production of 2-Thiothinone Hydrochloride, an analog of methcathinone hydrochloride (M225925), which is a controlled substance (stimulant). |
Molecular Weight: | 140.20 |
Molecular Formula: | C7H8OS |
Canonical SMILES: | CCC(=O)C1=CC=CS1 |
InChI: | InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3 |
InChI Key: | MFPZQZZWAMAHOY-UHFFFAOYSA-N |
Boiling Point: | 128-129°C |
Melting Point: | 57.00 °C at 760.00 mm Hg |
Purity: | 95% |
Density: | 1.1390 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Clear colourless to light brown liquid |
Storage: | Store at RT |
MDL: | MFCD00005446 |
LogP: | 2.34080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021193834-A1 | Mammal repellent | 20200325 |
CN-111218695-A | method for realizing ketone alpha site methylation reaction under electrochemical condition | 20200218 |
CN-111218695-B | Method for realizing ketone alpha site methylation reaction under electrochemical condition | 20200218 |
CN-110194713-A | A kind of É', beta unsaturated ketone compound and its preparation method and application | 20190225 |
CN-108358877-B | Furyl o-diketone derivative and preparation method thereof | 20180424 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 112 |
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: | 2 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Carbonyl Compounds
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