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Home > Pyridines > 355808-93-4
355808-93-4 | 2-(2-Pyridin-2-yl-ethylsulfanyl)-propionic acid
CAS No: 355808-93-4 Catalog No: AG00JLOW MDL No:
Product Description
Catalog Number:
AG00JLOW
Chemical Name:
2-(2-Pyridin-2-yl-ethylsulfanyl)-propionic acid
CAS Number:
355808-93-4
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
InChI:
InChI=1S/C10H13NO2S/c1-8(10(12)13)14-7-5-9-4-2-3-6-11-9/h2-4,6,8H,5,7H2,1H3,(H,12,13)
InChI Key:
KGXMQKHBWDSVNQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(SCCc1ccccn1)C
Properties
Complexity:
187
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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