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Also known as: 5848-24-8, N-cyano-n',s-dimethylisothiourea, Methyl n-cyano-n'-methylcarbamimidothioate, (e)-methyl n'-cyano-n-methylcarbamimidothioate, Methyl n'-cyano-n-methylcarbamimidothioate, S-methyl n-cyano-n'-methylcarbamimidothioate
Molecular Formula
C4H7N3S
Molecular Weight
129.19  g/mol
InChI Key
MHGGQXIPBPGZFB-UHFFFAOYSA-N

CAS 5848-24-8
1 2D Structure

CAS 5848-24-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl N-cyano-N'-methylcarbamimidothioate
2.1.2 InChI
InChI=1S/C4H7N3S/c1-6-4(8-2)7-3-5/h1-2H3,(H,6,7)
2.1.3 InChI Key
MHGGQXIPBPGZFB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN=C(NC#N)SC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5848-24-8

2. N-cyano-n',s-dimethylisothiourea

3. Methyl N-cyano-n'-methylcarbamimidothioate

4. (e)-methyl N'-cyano-n-methylcarbamimidothioate

5. Methyl N'-cyano-n-methylcarbamimidothioate

6. S-methyl N-cyano-n'-methylcarbamimidothioate

7. 2222520-23-0

8. Einecs 227-440-8

9. Schembl4477799

10. Schembl21222594

11. Dtxsid00207173

12. N-cyano N',s-dimethylisothiourea

13. N-cyano-n'.s-dimethylisothiourea

14. N,s-dimethyl-n'-cyano-isothiourea

15. N-cyano-n', S-dimethylisothiourea

16. N-cyano-n',s-dimethyl Isothiourea

17. N-cyano-n',s-dimethyl-isothiourea

18. Mfcd00078154

19. Zinc18043329

20. 3-cyano-1-methyl-2-methylisothiourea

21. Akos003676676

22. Akos005145347

23. Akos017278426

24. 1-cyano-2,3-dimethyl-2-thiopseudourea

25. N-cyano-n'-methyl-s-methyl Isothiourea

26. Pseudourea, 1-cyano-2,3-dimethyl-2-thio-

27. Pseudourea, 3-cyano-1,2-dimethyl-2-thio-

28. Ft-0693598

29. Methyl N'-cyano-n-methylimidothiocarbamate #

30. En300-19854

31. S-methyl N-cyano-n'-methylcarbamimido-thioate

32. D89357

33. N'-cyano-n-methyl(methylsulfanyl)methanimidamide

34. N-cyano-n'-methylcarbamimidothioic Acid Methyl Ester

35. N-cyano-n'-methylcarbamimido-thioic Acid, Methyl Ester

36. N-cyano-n'-methylcarbamimidothioic Acid, Methyl Ester

37. Carbamimidothioic Acid, N-cyano-n'-methyl-, Methyl Ester

38. 1841156-01-1

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 129.19 g/mol
Molecular Formula C4H7N3S
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass129.03606841 g/mol
Monoisotopic Mass129.03606841 g/mol
Topological Polar Surface Area73.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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