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853574-40-0 | 5-[(4-methylpiperazin-1-yl)sulfonyl]pyridine-2-thiol
CAS No: 853574-40-0 Catalog No: AG019M39 MDL No:MFCD06655719
Product Description
Catalog Number:
AG019M39
Chemical Name:
5-[(4-methylpiperazin-1-yl)sulfonyl]pyridine-2-thiol
CAS Number:
853574-40-0
Molecular Formula:
C10H15N3O2S2
Molecular Weight:
273.3750
MDL Number:
MFCD06655719
IUPAC Name:
5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione
InChI:
InChI=1S/C10H15N3O2S2/c1-12-4-6-13(7-5-12)17(14,15)9-2-3-10(16)11-8-9/h2-3,8H,4-7H2,1H3,(H,11,16)
InChI Key:
YTWZQZFAIKAHFG-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)S
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.369g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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