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Home > Pyridines > 852916-96-2
852916-96-2 | 5-[(4-benzylpiperazin-1-yl)sulfonyl]pyridine-2-thiol
CAS No: 852916-96-2 Catalog No: AG019OA3 MDL No:MFCD06655757
Product Description
Catalog Number:
AG019OA3
Chemical Name:
5-[(4-benzylpiperazin-1-yl)sulfonyl]pyridine-2-thiol
CAS Number:
852916-96-2
Molecular Formula:
C16H19N3O2S2
Molecular Weight:
349.4710
MDL Number:
MFCD06655757
IUPAC Name:
5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione
InChI:
InChI=1S/C16H19N3O2S2/c20-23(21,15-6-7-16(22)17-12-15)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,17,22)
InChI Key:
FQBIEZWSRLMUKG-UHFFFAOYSA-N
SMILES:
Sc1ccc(cn1)S(=O)(=O)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.467g/mol
Monoisotopic Mass:
349.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 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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