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132335-48-9 | 1-Propanone, 3-[methyl(phenylmethyl)amino]-1-(2-thienyl)-
CAS No: 132335-48-9 Catalog No: AG0010JR MDL No:
Product Description
Catalog Number:
AG0010JR
Chemical Name:
1-Propanone, 3-[methyl(phenylmethyl)amino]-1-(2-thienyl)-
CAS Number:
132335-48-9
Molecular Formula:
C15H17NOS
Molecular Weight:
259.3666
IUPAC Name:
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
InChI:
InChI=1S/C15H17NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11H,9-10,12H2,1H3
InChI Key:
ZFHDLFSAKBZORM-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1)CCC(=O)c1cccs1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.367g/mol
Monoisotopic Mass:
259.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Potent transglutaminase inhibitors, aryl beta-aminoethyl ketones. | Bioorganic & medicinal chemistry letters 20100201 |
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