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1291836-98-0 | 6-(thiomorpholin-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS No: 1291836-98-0 Catalog No: AG00HRXG MDL No:MFCD18788419
Product Description
Catalog Number:
AG00HRXG
Chemical Name:
6-(thiomorpholin-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS Number:
1291836-98-0
Molecular Formula:
C10H12N4O3S2
Molecular Weight:
300.3573
MDL Number:
MFCD18788419
IUPAC Name:
6-thiomorpholin-4-ylsulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C10H12N4O3S2/c15-10-12-11-9-2-1-8(7-14(9)10)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,12,15)
InChI Key:
ZBRWETWWGPWSST-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1cc(cc2)S(=O)(=O)N1CCSCC1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.351g/mol
Monoisotopic Mass:
300.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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