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89407-42-1 | Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
CAS No: 89407-42-1 Catalog No: AG003VXW MDL No:
Product Description
Catalog Number:
AG003VXW
Chemical Name:
Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
CAS Number:
89407-42-1
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
ethyl 3-pyridin-2-ylsulfanylpropanoate
InChI:
InChI=1S/C10H13NO2S/c1-2-13-10(12)6-8-14-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3
InChI Key:
IVAPRNFKTHBHCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCSc1ccccn1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| New classes of alanine racemase inhibitors identified by high-throughput screening show antimicrobial activity against Mycobacterium tuberculosis. | PloS one 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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