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Also known as: 49844-90-8, 4-chloro-2-(methylthio)pyrimidine, Pyrimidine, 4-chloro-2-(methylthio)-, Einecs 256-500-6, Dtxsid60198114, Nsc 100866
Molecular Formula
C5H5ClN2S
Molecular Weight
160.63  g/mol
InChI Key
DFOHHQRGDOQMKG-UHFFFAOYSA-N

CAS 49844-90-8
1 2D Structure

CAS 49844-90-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-2-methylsulfanylpyrimidine
2.1.2 InChI
InChI=1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
2.1.3 InChI Key
DFOHHQRGDOQMKG-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 49844-90-8

2. 4-chloro-2-(methylthio)pyrimidine

3. Pyrimidine, 4-chloro-2-(methylthio)-

4. Einecs 256-500-6

5. Dtxsid60198114

6. Nsc 100866

7. Refchem:98390

8. Dtxcid90120605

9. 256-500-6

10. Dfohhqrgdoqmkg-uhfffaoysa-n

11. 4-chloro-2-(methylsulfanyl)pyrimidine

12. 4-chloro-2-methylsulfanylpyrimidine

13. 4-chloro-2-methylsulfanyl-pyrimidine

14. Mfcd00006083

15. 4-chloro-2-(methylthio) Pyrimidine

16. Nsc100866

17. Nciopen2_001949

18. Schembl18947

19. Schembl2748894

20. 2-methylthio-4-chloropyrimidine

21. 6-chloro-2-methylthiopyrimidine

22. Schembl29693610

23. 2-methylthio-4-chloro Pyrimidine

24. 2-methylthio-4-chloro-pyrimidine

25. 4-chloro -2-methylthiopyrimidine

26. 4-chloro-2-methylthio-pyrimidine

27. 2-methylmercapto-6-chlorpyrimidin

28. 2-methylmercapto-4-chloropyrimidine

29. Albb-031863

30. Cs-m3277

31. Sbb054478

32. Akos005255070

33. 4-chloro-2-methylthiopyrimidine, 98%

34. Nsc-100866

35. Pb10012

36. Ps-5742

37. Ac-25659

38. Db-013326

39. C3087

40. Ns00031973

41. St51040011

42. En300-94700

43. F049172

44. Z1255485306

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 160.63 g/mol
Molecular Formula C5H5ClN2S
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area51.1
Heavy Atom Count9
Formal Charge0
Complexity91
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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