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2D Structure
Also known as: 59743-84-9, 4h-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, 10-methoxy-, Dtxsid90385030, 10-methoxy-4h-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one, 4h-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one, 10-methoxy-, Dtxcid00336053
Molecular Formula
C14H10O2S
Molecular Weight
242.29  g/mol
InChI Key
ZSGIVIUNURDDJL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
2.1.2 InChI
InChI=1S/C14H10O2S/c1-16-12-8-9-4-2-3-5-10(9)13(15)11-6-7-17-14(11)12/h2-8H,1H3
2.1.3 InChI Key
ZSGIVIUNURDDJL-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 59743-84-9

2. 4h-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one, 10-methoxy-

3. Dtxsid90385030

4. 10-methoxy-4h-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one

5. 4h-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one, 10-methoxy-

6. Dtxcid00336053

7. 611-873-8

8. Benzothiophen-10-methoxy-cycloheptanone

9. Benzo[b]thiophen-10-methoxycycloheptanone

10. Mfcd00101207

11. C14h10o2s

12. 10-methoxy-4h-benzo[4,5]cyclohepta-[1,2-b]thiophen-4-one

13. 8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one

14. Ketotifen Impurity 8

15. Maybridge3_004479

16. Oprea1_275274

17. Schembl10607942

18. Chebi:228643

19. Zsgiviunurddjl-uhfffaoysa-n

20. Hms1443l13

21. Ccg-42947

22. Akos005067981

23. Idi1_015866

24. As-17291

25. Sy253704

26. Db-072686

27. E85281

28. Sr-01000632904-1

29. 10-methoxy-4h-benzo[4,5]cyclohepta[b]thiophen-4-one

30. Brd-k50961437-001-01-8

31. 10-methoxy-4-benzo[4,5]cyclohepta[1,2-b]thiophene-4-one

32. 10-methoxy-4h-benzo[4,5] Cyclohepta[1,2-b] Thiophen-4-one

33. 8-methoxy-6-thiatricyclo[8.4.0.0^{3,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 242.29 g/mol
Molecular Formula C14H10O2S
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area54.5
Heavy Atom Count17
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1