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Overview of CAS 160982-16-1

Client Email Product
(4S)-6-Chloro-4-hydroxy-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2H)-dione
PharmaCompass
(4S)-6-Chloro-4-hydroxy-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2H)-dione
Also known as: 160982-16-1, (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine-1,1-dioxide, (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-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, C6h6clno3s2, (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno(3,2-e)-1,2-thiazine-1,1-dioxide
Molecular Formula
C6H6ClNO3S2
Molecular Weight
239.688  g/mol
InChI Key
OFJGKGNJDCLNPM-SCSAIBSYSA-N

1 2D Structure

(4S)-6-Chloro-4-hydroxy-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2H)-dione

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

3. (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-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. C6h6clno3s2

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

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

8. Ofjgkgnjdclnpm-scsaibsysa-n

9. Ak-60184

10. Schembl3041948

11. Ctk4d0684

12. Dtxsid50471786

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

14. Anw-44645

15. Zinc22002671

16. Akos015897319

17. Fch3623942

18. Aj-80193

19. Bc221058

20. Ds-16381

21. Ax8049081

22. Db-064386

23. St2414652

24. Tx-015713

25. Ft-0659709

26. 982c161

27. I09-0607

28. (4-s)-6-chloro-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide

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

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

31. 2h-thieno[3,2-e]-1,2-thiazin-4-ol, 6-chloro-3,4-dihydro-, 1,1-dioxide, (4s)-

32. 2h-thieno[3,2-e]-1,2-thiazin-4-ol,6-chloro-3,4-dihydro-, 1,1-dioxide, (4s)-

33. (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 239.688 g/mol
Molecular Formula C6H6ClNO3S2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass238.948 g/mol
Monoisotopic Mass238.948 g/mol
Topological Polar Surface Area103 A^2
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
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