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2D Structure
Also known as: 120279-85-8, 5,6-dihydro-4h-6-methylthieno[2,3-b]thiopyran-4-one, 6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-one, 6-methyl-4h,5h,6h-thieno[2,3-b]thiopyran-4-one, 6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-one
Molecular Formula
C8H8OS2
Molecular Weight
184.3  g/mol
InChI Key
FLJFMDYYNMNASJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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
2.1.3 InChI Key
FLJFMDYYNMNASJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CC(=O)C2=C(S1)SC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120279-85-8

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

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

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

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

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

7. N-caprylicanhydride

8. Schembl3349385

9. Dtxsid401217997

10. Akos006286730

11. Am84430

12. Sb45269

13. Cs-0442363

14. Ft-0657652

15. En300-295660

16. A808598

17. Q-100100

2.3 Create Date
2007-12-05
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 Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area70.6
Heavy Atom Count11
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1