Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 4547-02-8, Benzp-dinitride-thio-ketone, Thionordazepam, Thionordiazepam, 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione, 7-chloro-5-phenyl-1h-benzo[e]-[1,4]diazepine-2(3h)-thione
Molecular Formula
C15H11ClN2S
Molecular Weight
286.8  g/mol
InChI Key
ULILTJWAJZIROM-UHFFFAOYSA-N
FDA UNII
U953L6ZT3X

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
2.1.2 InChI
InChI=1S/C15H11ClN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
2.1.3 InChI Key
ULILTJWAJZIROM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
U953L6ZT3X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4547-02-8

2. Benzp-dinitride-thio-ketone

3. Thionordazepam

4. Thionordiazepam

5. 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione

6. 7-chloro-5-phenyl-1h-benzo[e]-[1,4]diazepine-2(3h)-thione

7. Demethylsulazepam

8. 7-chloro-1,3-dihydro-5-phenyl-2h-1,4-benzodiazepine-2-thione

9. Mls000546748

10. 7-chloro-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepine-2-thione

11. U953l6zt3x

12. Chembl1492697

13. 7-chloro-1,3-dihydro-5-phenyl-2h-1,4-benzodiazepin-2-thione

14. Smr000113873

15. 1,3-dihydro-7-chloro-5-phenyl-2h-1,4-benzodiazepine-2-thione

16. 7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione

17. 2h-1,4-benzodiazepine-2-thione, 7-chloro-1,3-dihydro-5-phenyl-

18. Unii-u953l6zt3x

19. Cid_826706

20. Schembl7323716

21. Schembl11530714

22. Bdbm71907

23. Dtxsid201342681

24. Hms2342p04

25. (z)-7-chloro-5-phenyl-1h-benzo[e][1,4]diazepine-2(3h)-thione

26. Bdbm50452426

27. Mfcd02068928

28. Zinc38337185

29. Akos005067468

30. Ac-8701

31. Ds-17472

32. Db-070654

33. Cs-0151398

34. Vu0474026-1

35. A51082

36. A826812

37. Ae-641/00770055

38. 7-chloro-5phenyl-3-h-1,4-benzodiazepine-2-thione

39. Q-201825

40. 1,3-dihydro-5-phenyl-7-chloro-2h-1,4-benzodiazepine-2-thione

41. 1,3-dihydro-7chloro-5phenyl-2h-1,4-benzodiazepine-2-thione

42. 7-chloro-2,3-dihydro-5-phenyl-1h-1,4-benzodiazepine-2-thione

43. 7-chloro-5-phenyl-1,3-dihydro-[1,4]benzodiazepine-2-thione

44. 7-chloro-1,3-dihydro-5-phenyl-2h-1,4-benzenodiazepine-2-thione

45. 9-chloro-6-phenyl-2.5-diazabicyclo[5.4.0]undeca-1(7),5,8,10-tetraene-3-thione

2.4 Create Date
2005-03-28
3 Chemical and Physical Properties
Molecular Weight 286.8 g/mol
Molecular Formula C15H11ClN2S
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.0331472 g/mol
Monoisotopic Mass286.0331472 g/mol
Topological Polar Surface Area56.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1