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89806-10-0 | Pyridine, 4-[5-(propylsulfonyl)-1,3,4-thiadiazol-2-yl]-, 1-oxide
CAS No: 89806-10-0 Catalog No: AG003YAA MDL No:
Product Description
Catalog Number:
AG003YAA
Chemical Name:
Pyridine, 4-[5-(propylsulfonyl)-1,3,4-thiadiazol-2-yl]-, 1-oxide
CAS Number:
89806-10-0
Molecular Formula:
C10H11N3O3S2
Molecular Weight:
285.3426
IUPAC Name:
2-(1-oxidopyridin-1-ium-4-yl)-5-propylsulfonyl-1,3,4-thiadiazole
InChI:
InChI=1S/C10H11N3O3S2/c1-2-7-18(15,16)10-12-11-9(17-10)8-3-5-13(14)6-4-8/h3-6H,2,7H2,1H3
InChI Key:
FJPOJQRYHWLNMK-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1nnc(s1)c1cc[n+](cc1)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.336g/mol
Monoisotopic Mass:
285.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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