CAS 77168-63-9 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 77168-63-9, 4-(pyridin-4-yl)thiazole-2-thiol, 4-pyridin-4-yl-3h-1,3-thiazole-2-thione, 4-(4-pyridyl)-1,3-thiazole-2-thiol, 2(3h)-thiazolethione, 4-(4-pyridinyl)-, 4-(pyridin-4-yl)thiazole-2(3h)-thione
Molecular Formula
C8H6N2S2
Molecular Weight
194.3  g/mol
InChI Key
LEQNUYXXLYRUNY-UHFFFAOYSA-N

CAS 77168-63-9
1 2D Structure

CAS 77168-63-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-pyridin-4-yl-3H-1,3-thiazole-2-thione
2.1.2 InChI
InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11)
2.1.3 InChI Key
LEQNUYXXLYRUNY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=CC=C1C2=CSC(=S)N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 77168-63-9

2. 4-(pyridin-4-yl)thiazole-2-thiol

3. 4-pyridin-4-yl-3h-1,3-thiazole-2-thione

4. 4-(4-pyridyl)-1,3-thiazole-2-thiol

5. 2(3h)-thiazolethione, 4-(4-pyridinyl)-

6. 4-(pyridin-4-yl)thiazole-2(3h)-thione

7. 4-(4-pyridyl)thiazole-2(3h)-thione

8. 4-(4-pyridyl)-3h-thiazole-2-thione

9. Ec 616-441-2

10. 4-(pyridin-4-yl)-1,3-thiazole-2(3h)-thione

11. Schembl1810828

12. Chembl4085253

13. Dtxsid90625403

14. 4-pyridin-4-yl-thiazole-2-thiol

15. Bcp28572

16. Mfcd11506654

17. Mfcd22683159

18. Zinc35572073

19. Akos006324603

20. 2(3h)-thiazolethione, 4-(4-pyridinyl)

21. Ac-27014

22. Ds-11885

23. Sy034854

24. Db-027016

25. Am20061498

26. Cs-0096878

27. Ft-0654915

28. 168p639

29. A838990

30. Q-100823

31. 4-(4-pyridyl)-3h-thiazole-2-thione;4-(pyridin-4-yl)thiazole-2-thiol

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 194.3 g/mol
Molecular Formula C8H6N2S2
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass193.99724055 g/mol
Monoisotopic Mass193.99724055 g/mol
Topological Polar Surface Area82.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity219
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

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
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