1 2D Structure

2D Structure

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 Formula	C₈H₈OS₂
Molecular Weight	184.3 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	184.00165722 g/mol
Monoisotopic Mass	184.00165722 g/mol
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

147086-79-1