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Home > Pyridines > 852956-28-6
852956-28-6 | 5-(azepane-1-sulfonyl)pyridine-2-thiol
CAS No: 852956-28-6 Catalog No: AG019O9F MDL No:MFCD06655718
Product Description
Catalog Number:
AG019O9F
Chemical Name:
5-(azepane-1-sulfonyl)pyridine-2-thiol
CAS Number:
852956-28-6
Molecular Formula:
C11H16N2O2S2
Molecular Weight:
272.3869
MDL Number:
MFCD06655718
IUPAC Name:
5-(azepan-1-ylsulfonyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C11H16N2O2S2/c14-17(15,10-5-6-11(16)12-9-10)13-7-3-1-2-4-8-13/h5-6,9H,1-4,7-8H2,(H,12,16)
InChI Key:
ZYZPMALLHYQJGV-UHFFFAOYSA-N
SMILES:
Sc1ccc(cn1)S(=O)(=O)N1CCCCCC1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.381g/mol
Monoisotopic Mass:
272.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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