CAS 63675-74-1

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Also known as: 63675-74-1, 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene, 6-methoxy-2-(4-methoxyphenyl)benzobithiophene, 6-methoxy-2-(4-methoxyphenyl)benzothiophene, 6-methoxy-2-(4-methoxyphenyl)benzo(b)thiophene, 2-(4-methoxyphenyl)-6-methoxybenzo[b]thiophene

Molecular Formula

C₁₆H₁₄O₂S

Molecular Weight

270.3 g/mol

InChI Key

HRWAGCVMOGWQJF-UHFFFAOYSA-N

1 2D Structure

CAS 63675-74-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene

2.1.2 InChI

InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3

2.1.3 InChI Key

HRWAGCVMOGWQJF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 63675-74-1

2. 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene

3. 6-methoxy-2-(4-methoxyphenyl)benzobithiophene

4. 6-methoxy-2-(4-methoxyphenyl)benzothiophene

5. 6-methoxy-2-(4-methoxyphenyl)benzo(b)thiophene

6. 2-(4-methoxyphenyl)-6-methoxybenzo[b]thiophene

7. Benzo[b]thiophene, 6-methoxy-2-(4-methoxyphenyl)-

8. Mfcd02083138

9. 2-(4-methoxy Phenyl)-6-methoxy Benzo[b]thiophene

10. Einecs 264-408-2

11. Mls006011668

12. Schembl1665299

13. Dtxsid20213054

14. Zinc385624

15. Amy21951

16. Bcp08882

17. Akos005100762

18. 7m-358s

19. Cs-w009444

20. Smr002530445

21. Sy030955

22. 4-methoxyphenyl-6-methoxybenzo[b]thiophene

23. 2-(4-methoxyphenyl)-6-methoxybenzothiophene

24. A8762

25. Ft-0640902

26. M2345

27. F16241

28. 2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene

29. 2-(4--methoxyphenyl)-6-methoxybenzo[b]thiophene

30. 2-(4-methoxyphenyl)-6-methoxy-1-benzothiophene

31. 6-methoxy-2-(4-methoxyphenyl)-benzo[b]thiophene

32. 6-methoxy-2-(4-methoxyphenyl)benzo [b]thiophene

33. 6-methoxy-2-(4-methoxyphenyl)benzo-[b]thiophene

34. 6-methoxy-2-(4-methoxyphenyl) -benzo[b]thiophene

35. 675m741

36. Sr-01000944931

37. 2-(4'-methoxyphenyl) - 6-methoxybenzo[b]thiophene

38. 6-methoxy-2-(4-methoxy-phenyl) -benzo[b]thiophene

39. Sr-01000944931-1

40. W-104887

41. 4-(6-methoxy-1-benzothiophen-2-yl)phenyl Methyl Ether

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O₂S
Molecular Weight	270.3 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	270.07145086 g/mol
Monoisotopic Mass	270.07145086 g/mol
Topological Polar Surface Area	46.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	289
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1