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105951-35-7 | 5,6-DIHYDRO-4-OXO-4H-THIENO[2,3-B]THIINE-2-SULFONAMIDE 7,7-DIOXIDE
CAS No: 105951-35-7 Catalog No: AG009O50 MDL No:
Product Description
Catalog Number:
AG009O50
Chemical Name:
5,6-DIHYDRO-4-OXO-4H-THIENO[2,3-B]THIINE-2-SULFONAMIDE 7,7-DIOXIDE
CAS Number:
105951-35-7
IUPAC Name:
4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
InChI:
InChI=1S/C7H7NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3H,1-2H2,(H2,8,12,13)
InChI Key:
BGNCCUHEGHNNAP-UHFFFAOYSA-N
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.949g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
280.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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