CAS 26638-66-4

Chemistry, 4 End Use API, 12 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 26638-66-4, 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, 3,11-dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine, 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide, Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide, Rac 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-dioxide

Molecular Formula

C₁₄H₁₁Cl₂NO₂S

Molecular Weight

328.2 g/mol

InChI Key

FHICZIHQHGRZLE-UHFFFAOYSA-N

1 2D Structure

CAS 26638-66-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,11-dichloro-6-methyl-11H-benzo[c][2,1]benzothiazepine 5,5-dioxide

2.1.2 InChI

InChI=1S/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3

2.1.3 InChI Key

FHICZIHQHGRZLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 26638-66-4

2. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide

3. 3,11-dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine

4. 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide

5. Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide

6. Rac 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-dioxide

7. 3,11-dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide

8. Tianeptine Thiazepinyl Chloride Impurity

9. Einecs 247-866-8

10. 3,11-dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine5,5-dioxide

11. Schembl6939270

12. Dtxsid10949471

13. Bcp30700

14. Cs-d1747

15. Ac-323

16. Mfcd09029354

17. Akos015889330

18. As-33020

19. Am20040056

20. Ft-0655286

21. A818541

22. Q-100335

23. 3,11-dichloro-6-methyl-6,11-dihydro-5h-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione

24. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, 95%

25. 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine5,5-dioxide

26. 3,11-dichloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

27. 3,11-dichloro-6-methyl-11h-benzo[c][2,1]benzothiazepine 5,5-dioxide;3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁Cl₂NO₂S
Molecular Weight	328.2 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	326.9887552 g/mol
Monoisotopic Mass	326.9887552 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1