CAS 160982-16-1

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BUILDING BLOCK

4 Suppliers, 4 End Use APIs, 13 Related Intermediates

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4 End Use APIs
13 Related Intermediates

Chemistry

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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

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 Formula	C₆H₆ClNO₃S₂
Molecular Weight	239.7 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	238.9477631 g/mol
Monoisotopic Mass	238.9477631 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	302
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