CAS 2782-91-4

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Also known as: 2782-91-4, 1,1,3,3-tetramethylthiourea, 1,1,3,3-tetramethyl-2-thiourea, Thiourea, tetramethyl-, Basthioryl, Tmtu

Molecular Formula

C₅H₁₂N₂S

Molecular Weight

132.23 g/mol

InChI Key

MNOILHPDHOHILI-UHFFFAOYSA-N

FDA UNII

J6T67A1P72

1 2D Structure

CAS 2782-91-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1,3,3-tetramethylthiourea

2.1.2 InChI

InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3

2.1.3 InChI Key

MNOILHPDHOHILI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C(=S)N(C)C

2.2 Other Identifiers

2.2.1 UNII

J6T67A1P72

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2782-91-4

2. 1,1,3,3-tetramethylthiourea

3. 1,1,3,3-tetramethyl-2-thiourea

4. Thiourea, Tetramethyl-

5. Basthioryl

6. Tmtu

7. N,n,n',n'-tetramethylthiourea

8. Urea, Thio-, Tetramethyl-

9. Na-101

10. Urea, 1,1,3,3-tetramethyl-2-thio-

11. Thiourea, N,n,n',n'-tetramethyl-

12. Tetramethyl Thiourea

13. Tetramethyl-thiourea

14. Nsc 102499

15. J6t67a1p72

16. Nsc-102499

17. Tetramethyl-2-thiourea

18. Ccris 4871

19. Hsdb 6777

20. Einecs 220-488-0

21. Brn 1744916

22. Unii-j6t67a1p72

23. Ai3-28290

24. Mfcd00008324

25. Tetra Methyl Thiourea

26. Tmtu, 1,1,3,3-tetramethyl-2-thiourea

27. Tetramethylthiourea, 98%

28. Schembl15657

29. N,n',n'-tetramethylthiourea

30. 4-04-00-00232 (beilstein Handbook Reference)

31. Chembl12214

32. Dtxsid5026126

33. Schembl11104551

34. Tetramethylthiuronium-2-ylradical

35. Tetramethylthiourea [hsdb]

36. ((ch3)2n)2cs

37. Chebi:191168

38. Zinc388100

39. Urea,1,3,3-tetramethyl-2-thio-

40. Nsc102499

41. Stk370053

42. Akos005445484

43. Ncgc00341713-01

44. As-12238

45. Urea,1,1,3,3-tetramethyl,2-thio

46. Cs-0151338

47. Ft-0606007

48. Tetramethyl-2-thiourea, 1,1,3,3-

49. H10721

50. Ab01334043-02

51. 10.14272/mnoilhpdhohili-uhfffaoysa-n.1

52. Doi:10.14272/mnoilhpdhohili-uhfffaoysa-n.1

53. J-016889

54. Q22159079

55. F1285-1701

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂N₂S
Molecular Weight	132.23 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	132.07211956 g/mol
Monoisotopic Mass	132.07211956 g/mol
Topological Polar Surface Area	38.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.4
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

4 Drug and Medication Information

4.1 Therapeutic Uses

As an antithyroid agent.

NIOSH; Thiourea and Compounds: Information Profiles on Potential Occupational Hazards. Contract No. 210-79-0030, National Institute for Occupational Safety and Health, Rockville, MD (1982)

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