Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 26723-60-4, 3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide, 3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-ol, 3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-ol 5,5-dioxide, Mfcd07368144, 3-chloro-11-hydroxy-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide
Molecular Formula
C14H12ClNO3S
Molecular Weight
309.8  g/mol
InChI Key
KBRSJPHSCOAFDR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol
2.1.2 InChI
InChI=1S/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3
2.1.3 InChI Key
KBRSJPHSCOAFDR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 26723-60-4

2. 3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide

3. 3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][2,1]benzothiazepin-11-ol

4. 3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-ol 5,5-dioxide

5. Mfcd07368144

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

7. Einecs 247-944-1

8. 3-chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c.f][1,2]thiazepine

9. Carbamicacidisopropylester

10. Dtxsid90949535

11. Kbrsjphscoafdr-uhfffaoysa-n

12. Ac-230

13. Akos015889298

14. Ds-0472

15. 3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide:

16. Sy111787

17. Db-067673

18. Am20050221

19. Cs-0151122

20. Ns00051427

21. A818568

22. J-016526

23. 3-chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine, 95%

24. 3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol5,5-dioxide

25. 3-chloro-11-hydroxy-6-methyl-6,11-dihydro-5h-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione

26. 3-chloro-6 Pound Not11-dihydro-5 Pound Not5-dioxo-11-hydroxy-6-methyldibenzo[c Pound Notf][1 Pound Not2]thiazepine

27. 6-chloro-2-hydroxy-10-methyl-9??-thia-10-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,12,14-hexaene-9,9-dione

28. 6-chloro-2-hydroxy-10-methyl-9lambda6-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-9,9-dione

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 309.8 g/mol
Molecular Formula C14H12ClNO3S
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66
Heavy Atom Count20
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1