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Overview of 147086-79-1

Client Email Product
4H-Thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, (6S)-
PharmaCompass
4H-Thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, (6S)-
Also known as: 147086-79-1, (6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-one, (6s)-6-methyl-4h,5h,6h-thieno[2,3-b]thiopyran-4-one, 4h-thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, (s)-, C8h8os2, 5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-one
Molecular Formula
C8H8OS2
Molecular Weight
184.3  g/mol
InChI Key
FLJFMDYYNMNASJ-YFKPBYRVSA-N

1 2D Structure

4H-Thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, (6S)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
2.1.2 InChI
InChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
2.1.3 InChI Key
FLJFMDYYNMNASJ-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CC1CC(=O)C2=C(S1)SC=C2
2.1.5 Isomeric SMILES
C[C@H]1CC(=O)C2=C(S1)SC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147086-79-1

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

3. (6s)-6-methyl-4h,5h,6h-thieno[2,3-b]thiopyran-4-one

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

5. C8h8os2

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

7. (2s)-2-methyl-2h,3h,4h-thieno[2,3-b]thiopyran-4-one

8. 4h-thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, (6s)-

9. Schembl1122649

10. Ctk4c5250

11. (6s)-6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one

12. Zinc38672075

13. Akos015895956

14. Ne14059

15. Ac-22716

16. Aj-96820

17. Ft-0657652

18. X6139

19. En300-93026

20. I06-1273

21. 4h-thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, (6s)-

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 184.3 g/mol
Molecular Formula C8H8OS2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass184.001657 g/mol
Monoisotopic Mass184.001657 g/mol
Topological Polar Surface Area70.6
Heavy Atom Count11
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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