CAS 1223-31-0

Chemistry, 1 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 1223-31-0, Bis(4-nitrophenyl) sulfide, 4,4'-dinitrodiphenyl sulfide, 4-nitrophenyl sulfide, Bis(p-nitrophenyl)sulfide, Bis(4-nitrophenyl) sulphide

Molecular Formula

C₁₂H₈N₂O₄S

Molecular Weight

276.27 g/mol

InChI Key

ZZTJMQPRKBNGNX-UHFFFAOYSA-N

FDA UNII

H9L58S7KDK

1 2D Structure

CAS 1223-31-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-nitro-4-(4-nitrophenyl)sulfanylbenzene

2.1.2 InChI

InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H

2.1.3 InChI Key

ZZTJMQPRKBNGNX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

H9L58S7KDK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1223-31-0

2. Bis(4-nitrophenyl) Sulfide

3. 4,4'-dinitrodiphenyl Sulfide

4. 4-nitrophenyl Sulfide

5. Bis(p-nitrophenyl)sulfide

6. Bis(4-nitrophenyl) Sulphide

7. Benzene, 1,1'-thiobis[4-nitro-

8. P,p'-dinitrodiphenyl Sulfide

9. Sulfide, Bis(p-nitrophenyl)

10. 1-nitro-4-(4-nitrophenyl)sulfanylbenzene

11. Benzene, 1,1'-thiobis(4-nitro-

12. Di(p-nitrophenyl) Sulfide

13. 1-nitro-4-[(4-nitrophenyl)sulfanyl]benzene

14. Nsc 11350

15. H9l58s7kdk

16. 4,4'-dinitrodiphenylsulphide

17. Mfcd00039745

18. Nsc-11350

19. Nsc629272

20. 1-nitro-4-(4-nitrophenyl)sulfanyl-benzene

21. Einecs 214-950-0

22. Brn 2058966

23. Dinitrodiphenyl Sulfide

24. 1-nitro-4-[(4-nitrophenyl)thio]benzene

25. Bis(4-nitrophenyl)sulfane

26. 4,4'-dinitrophenylsulfide

27. Di(4-nitrophenyl) Sulfide

28. Unii-h9l58s7kdk

29. Sulphide, Bis(p-nitrophenyl)

30. Benzene,1'-thiobis[4-nitro-

31. Schembl4163474

32. 1,1'-thiobis(4-nitrobenzene)

33. Dtxsid9061629

34. Zztjmqprkbngnx-uhfffaoysa-

35. Nsc11350

36. Zinc1712904

37. Akos001038321

38. Nsc-629272

39. As-60187

40. Db-041662

41. Cs-0206171

42. D0847

43. Ft-0633499

44. En300-17123

45. 1-nitro-4-[(4-nitrophenyl)sulfanyl]benzene #

46. D89728

47. J-519880

48. Hydroxy(4-((4-(hydroxy(oxido)amino)phenyl)thio)phenyl)azane Oxide

49. Dimethyl4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₈N₂O₄S
Molecular Weight	276.27 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	276.02047791 g/mol
Monoisotopic Mass	276.02047791 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	294
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