2-Acetyl-3-methylthiophene - CAS 13679-72-6
Catalog: |
BB008416 |
Product Name: |
2-Acetyl-3-methylthiophene |
CAS: |
13679-72-6 |
Synonyms: |
1-(3-methylthiophen-2-yl)ethanone |
IUPAC Name: | 1-(3-methylthiophen-2-yl)ethanone |
Description: | 2-Acetyl-3-methylthiophene (CAS# 13679-72-6) is a useful research chemical. |
Molecular Weight: | 140.20 |
Molecular Formula: | C7H8OS |
Canonical SMILES: | CC1=C(SC=C1)C(=O)C |
InChI: | InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3 |
InChI Key: | YBJDKNXEWQSGEL-UHFFFAOYSA-N |
Boiling Point: | 98-99 °C (14 mmHg) |
Density: | 1.124 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00005443 |
LogP: | 2.25910 |
Publication Number | Title | Priority Date |
US-2018317488-A1 | Use of Substituted Oxadiazoles for Combating Phytopathogenic Fungi | 20151103 |
EP-3169666-B1 | Substituted azaspiro(4.5)decane derivatives | 20140715 |
US-2017210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | 20140715 |
JP-2016001567-A | Electrolytic solution and secondary battery using the same | 20140612 |
JP-2015149250-A | Electrolytic solution and secondary battery using the same | 20140207 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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