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13679-74-8 | Ethanone, 1-(5-methyl-2-thienyl)-
CAS No: 13679-74-8 Catalog No: AG0012DJ MDL No:MFCD00014529
Product Description
Catalog Number:
AG0012DJ
Chemical Name:
Ethanone, 1-(5-methyl-2-thienyl)-
CAS Number:
13679-74-8
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00014529
IUPAC Name:
1-(5-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChI Key:
YOSDTJYMDAEEAZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(=O)C
EC Number:
237-181-2
UNII:
2HS3I278W9
FEMA Number:
4643
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Investigation of trypanothione reductase as a drug target in Trypanosoma brucei. | ChemMedChem 20091207 |
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