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2D Structure
Also known as: 120279-88-1, 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide, 6-methyl-4-oxo-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-2-sulfonamide, Ec 601-694-3, (6s)-6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide, 6-methyl-4-oxo-5,6-dihydro-4h-thieno(2,3-b)thiopyran-2-sulfonamide
Molecular Formula
C8H9NO3S3
Molecular Weight
263.4  g/mol
InChI Key
QMNAQPMXDMLOLD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
2.1.2 InChI
InChI=1S/C8H9NO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3,(H2,9,11,12)
2.1.3 InChI Key
QMNAQPMXDMLOLD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CC(=O)C2=C(S1)SC(=C2)S(=O)(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120279-88-1

2. 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

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

4. Ec 601-694-3

5. (6s)-6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

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

7. Phenforminhydrochloride

8. Schembl2351369

9. Dtxsid10440438

10. Amy32006

11. Akos015898689

12. Ac-23883

13. Ft-0658987

14. A804483

15. J-004299

16. ( Inverted Exclamation Marka)-6-methyl-4-oxo-5d1,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 263.4 g/mol
Molecular Formula C8H9NO3S3
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area139
Heavy Atom Count15
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1