Close
4
FDA-DMF-Filings-in-2019
X

Overview of CAS 630-22-8

Client Email Product
4CH-019261
PharmaCompass
4CH-019261
Also known as: 630-22-8, 2,2,2-trimethylthioacetamide, 2,2-dimethylthiopropionamide, Neopentanethioamide, Propanethioamide, 2,2-dimethyl-, Thiopivalamide
Molecular Formula
C5H11NS
Molecular Weight
117.21  g/mol
InChI Key
FJZJUSOFGBXHCV-UHFFFAOYSA-N

1 2D Structure

4CH-019261

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2-dimethylpropanethioamide
2.1.2 InChI
InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
2.1.3 InChI Key
FJZJUSOFGBXHCV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C(=S)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 630-22-8

2. 2,2,2-trimethylthioacetamide

3. 2,2-dimethylthiopropionamide

4. Neopentanethioamide

5. Propanethioamide, 2,2-dimethyl-

6. Thiopivalamide

7. Ac1mhren

8. Ac1q1lra

9. 2,2-dimethyl-thiopropionamide

10. 2,2-dimethylthio Propionamide

11. Schembl1026012

12. Propanethioamide,2,2-dimethyl-

13. Niosh/ue4523000

14. Schembl12102191

15. Ctk5b7139

16. Dtxsid00388714

17. 2-methyl-2-methylthiopropionamide

18. Fjzjusofgbxhcv-uhfffaoysa-n

19. Molport-004-311-711

20. Ks-00000i8r

21. Zinc5713489

22. 9562ab

23. Mfcd09742834

24. Nsc381432

25. Akos000150524

26. Propionamide, 2-methyl-2-methylthio-

27. Mcule-3063566984

28. Ne14392

29. Nsc-381432

30. Qc-4600

31. Aj-54607

32. Ak122453

33. As-10697

34. Or036671

35. Sc-14578

36. Ab0071343

37. Db-028038

38. Kb-224890

39. St2403574

40. 4ch-019261

41. Am20100553

42. Ft-0698711

43. Ue45230000

44. En300-36990

45. 630d228

46. Z381061566

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 117.21 g/mol
Molecular Formula C5H11NS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass117.061 g/mol
Monoisotopic Mass117.061 g/mol
Topological Polar Surface Area58.1 A^2
Heavy Atom Count7
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us