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

147086-79-1
1 2D Structure

147086-79-1

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-5,6-dihydrothieno[2,3-b]thiopyran-4-one

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

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

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

7. Schembl1122649

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

9. Zinc38672075

10. Akos015895956

11. Ac-22716

12. As-75583

13. Cs-0264523

14. En300-93026

15. D97171

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 Mass184.00165722 g/mol
Monoisotopic Mass184.00165722 g/mol
Topological Polar Surface Area70.6 Ų
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

BUILDING BLOCK

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