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13196-35-5 | 1-Propanone, 3-(dimethylamino)-1-(2-thienyl)-
CAS No: 13196-35-5 Catalog No: AG000ZYX MDL No:
Product Description
Catalog Number:
AG000ZYX
Chemical Name:
1-Propanone, 3-(dimethylamino)-1-(2-thienyl)-
CAS Number:
13196-35-5
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
3-(dimethylamino)-1-thiophen-2-ylpropan-1-one
InChI:
InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3
InChI Key:
JNMZUWJMJSKMON-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)c1cccs1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| N,N-Dimethyl-3-oxo-3-(thio-phen-2-yl)propanaminium chloride. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Activation of inhibitors by sortase triggers irreversible modification of the active site. | The Journal of biological chemistry 20070810 |
| High-performance liquid chromatographic method for the simultaneous estimation of the key intermediates of duloxetine. | Talanta 20051031 |
| Biotransformations for the production of the chiral drug (S)-Duloxetine catalyzed by a novel isolate of Candida tropicalis. | Applied microbiology and biotechnology 20050601 |
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