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Home > Pyridines > 292617-85-7
292617-85-7 | Pyridine, 4-[2-[(4-methoxyphenyl)thio]ethyl]-
CAS No: 292617-85-7 Catalog No: AG002XVL MDL No:
Product Description
Catalog Number:
AG002XVL
Chemical Name:
Pyridine, 4-[2-[(4-methoxyphenyl)thio]ethyl]-
CAS Number:
292617-85-7
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
4-[2-(4-methoxyphenyl)sulfanylethyl]pyridine
InChI:
InChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChI Key:
IUWQYMDPRUPDGB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SCCc1ccncc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 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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