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105951-31-3 | 4H-Thieno[2,3-b]thiopyran-2-sulfonamide,5,6-dihydro-4-oxo-
CAS No: 105951-31-3 Catalog No: AG007WG2 MDL No:
Product Description
Catalog Number:
AG007WG2
Chemical Name:
4H-Thieno[2,3-b]thiopyran-2-sulfonamide,5,6-dihydro-4-oxo-
CAS Number:
105951-31-3
Molecular Formula:
C7H7NO3S3
Molecular Weight:
249.3304
IUPAC Name:
4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
InChI:
InChI=1S/C7H7NO3S3/c8-14(10,11)6-3-4-5(9)1-2-12-7(4)13-6/h3H,1-2H2,(H2,8,10,11)
InChI Key:
WKLCYOHFTPREOW-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c1cc(s2)S(=O)(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.959g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
248.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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