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2D Structure
Also known as: 147128-77-6, (4r,6s)-5,6-dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide, 162490-44-0, Mfcd11035925, 4h-thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4r,6s)-, (4s,6s)-4h-thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide
Molecular Formula
C8H10O3S2
Molecular Weight
218.3  g/mol
InChI Key
NFUQUGUUAUVBMO-CAHLUQPWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
2.1.2 InChI
InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
2.1.3 InChI Key
NFUQUGUUAUVBMO-CAHLUQPWSA-N
2.1.4 Canonical SMILES
CC1CC(C2=C(S1(=O)=O)SC=C2)O
2.1.5 Isomeric SMILES
C[C@H]1C[C@H](C2=C(S1(=O)=O)SC=C2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147128-77-6

2. (4r,6s)-5,6-dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide

3. 162490-44-0

4. Mfcd11035925

5. 4h-thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4r,6s)-

6. (4s,6s)-4h-thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide

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

8. Starbld0019669

9. Schembl3303040

10. (4r,6r)-6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-ol 7,7-dioxide

11. Dtxsid001140774

12. Bcp11382

13. Ac7560

14. (4r,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide

15. Akos015899998

16. Ac-5301

17. As-31477

18. Cs-0162281

19. En300-214834

20. J-501486

21. (2s,4r)-4-hydroxy-2-methyl-2h,3h,4h-1lambda6-thieno[2,3-b]thiopyran-1,1-dione

22. (4r)-5,6-dihydro-4-hydroxy-6alpha-methyl-4h-thieno[2,3-b]thiopyran 7,7-dioxide

23. 4-(r)-hydroxy-5,6-dihydro-6-(s)-methyl-4h-thieno[2,3 B]thiopyran-7,7-dioxide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 218.3 g/mol
Molecular Formula C8H10O3S2
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area91
Heavy Atom Count13
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1