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2D Structure
Also known as: 120279-26-7, 5,6-dihydro-4h-4-hydroxy-6-methyl thieno [2,3,b] thiopyran-2-sulfonamide-7,7-dioxide, 4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide, 4h-thieno[2,3-b]thiopyran-2-sulfonamide,5,6-dihydro-4-hydroxy-6-methyl-, 7,7-dioxide, 5,6-dihydro-4-hydroxy-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide, Schembl2348864
Molecular Formula
C8H11NO5S3
Molecular Weight
297.4  g/mol
InChI Key
ZXSUWHJGLUHKPC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
2.1.2 InChI
InChI=1S/C8H11NO5S3/c1-4-2-6(10)5-3-7(17(9,13)14)15-8(5)16(4,11)12/h3-4,6,10H,2H2,1H3,(H2,9,13,14)
2.1.3 InChI Key
ZXSUWHJGLUHKPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120279-26-7

2. 5,6-dihydro-4h-4-hydroxy-6-methyl Thieno [2,3,b] Thiopyran-2-sulfonamide-7,7-dioxide

3. 4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide

4. 4h-thieno[2,3-b]thiopyran-2-sulfonamide,5,6-dihydro-4-hydroxy-6-methyl-, 7,7-dioxide

5. 5,6-dihydro-4-hydroxy-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide

6. Schembl2348864

7. Dtxsid80559768

8. Akos015898688

9. Ft-0659484

10. A804481

11. 4-hydroxy-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-2-sulfonamide

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 297.4 g/mol
Molecular Formula C8H11NO5S3
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area160
Heavy Atom Count17
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1