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Also known as: 160982-16-1, (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-thiazin-4-ol, (4s)-6-chloro-1,1-dioxo-3,4-dihydro-2h-thieno[3,2-e]thiazin-4-ol, (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazin-4-ol, (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine-1,1-dioxide, Schembl3041948
Molecular Formula
C6H6ClNO3S2
Molecular Weight
239.7  g/mol
InChI Key
OFJGKGNJDCLNPM-SCSAIBSYSA-N

CAS 160982-16-1
1 2D Structure

CAS 160982-16-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
2.1.2 InChI
InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2/t4-/m1/s1
2.1.3 InChI Key
OFJGKGNJDCLNPM-SCSAIBSYSA-N
2.1.4 Canonical SMILES
C1C(C2=C(SC(=C2)Cl)S(=O)(=O)N1)O
2.1.5 Isomeric SMILES
C1[C@H](C2=C(SC(=C2)Cl)S(=O)(=O)N1)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 160982-16-1

2. (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-thiazin-4-ol

3. (4s)-6-chloro-1,1-dioxo-3,4-dihydro-2h-thieno[3,2-e]thiazin-4-ol

4. (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazin-4-ol

5. (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine-1,1-dioxide

6. Schembl3041948

7. Dtxsid50471786

8. Mfcd09033311

9. Zinc22002671

10. Akos015897319

11. 2h-thieno[3,2-e]-1,2-thiazin-4-ol, 6-chloro-3,4-dihydro-, 1,1-dioxide, (4s)-

12. Ds-16381

13. Cs-0157325

14. A51043

15. 982c161

16. (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-t

17. (4-s)-6-chloro-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide

18. (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda6-thieno[3,2-e][1,2]thiazin-4-ol

19. (s)-6-chloro-3,4-dihydro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine 1,1-dioxide

20. (s)-6-chloro-4-hydroxy-3,4-dihydro-2h-thieno-[3,2-e][1,2]thiazine 1,1-dioxide

21. (s)-6-chloro-4-hydroxy-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine1,1-dioxide

22. (4s)-6-chloro-4-hydroxy-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2h)-dione

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 239.7 g/mol
Molecular Formula C6H6ClNO3S2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass238.9477631 g/mol
Monoisotopic Mass238.9477631 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count13
Formal Charge0
Complexity302
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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