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Home > Pyridines > 338777-83-6
338777-83-6 | 2-({3-[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-2-oxopropyl}sulfanyl)pyridin-1-ium-1-olate
CAS No: 338777-83-6 Catalog No: AG00IR3L MDL No:MFCD00172155
Product Description
Catalog Number:
AG00IR3L
Chemical Name:
2-({3-[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-2-oxopropyl}sulfanyl)pyridin-1-ium-1-olate
CAS Number:
338777-83-6
Molecular Formula:
C13H12N2O3S2
Molecular Weight:
308.3760
MDL Number:
MFCD00172155
IUPAC Name:
1,3-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]propan-2-one
InChI:
InChI=1S/C13H12N2O3S2/c16-11(9-19-12-5-1-3-7-14(12)17)10-20-13-6-2-4-8-15(13)18/h1-8H,9-10H2
InChI Key:
ULPYMVNCCBYWMX-UHFFFAOYSA-N
SMILES:
O=C(CSc1cccc[n+]1[O-])CSc1cccc[n+]1[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.37g/mol
Monoisotopic Mass:
308.029g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^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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