CAS 52560-89-1

As a CDMO, Mikart offers integrated CDMO services for Solid Dose & Non-sterile Liquid formulations.

Virtual Booth

Contact Supplier

LEBSA- Your strategic API source for niche molecules.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 3 Related Intermediates

1 Suppliers
1 End Use APIs
3 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 52560-89-1, 5-(2-sulfanylidene-3h-1,3-thiazol-4-yl)thiophene-2-carboxamide, 2-thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)-, 5-(2-mercapto-thiazol-4-yl)-thiophene-2-carboxylic acid amide, 5-(2-mercaptothiazol-4-yl)thiophene-2-carboxamide, Nsc317939

Molecular Formula

C₈H₆N₂OS₃

Molecular Weight

242.3 g/mol

InChI Key

AMSLEHALZQXAOV-UHFFFAOYSA-N

1 2D Structure

CAS 52560-89-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide

2.1.2 InChI

InChI=1S/C8H6N2OS3/c9-7(11)6-2-1-5(14-6)4-3-13-8(12)10-4/h1-3H,(H2,9,11)(H,10,12)

2.1.3 InChI Key

AMSLEHALZQXAOV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(SC(=C1)C(=O)N)C2=CSC(=S)N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52560-89-1

2. 5-(2-sulfanylidene-3h-1,3-thiazol-4-yl)thiophene-2-carboxamide

3. 2-thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)-

4. 5-(2-mercapto-thiazol-4-yl)-thiophene-2-carboxylic Acid Amide

5. 5-(2-mercaptothiazol-4-yl)thiophene-2-carboxamide

6. Nsc317939

7. Schembl11821279

8. Dtxsid90401421

9. Mfcd11040250

10. Akos015900678

11. Nsc-317939

12. Bs-48832

13. Cs-0179307

14. E79138

15. A857235

16. 5-(3-methoxy-phenyl)-penta-2,4-dienoicacid

17. 5-(2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)thiophene-2-carboxamide

18. 5-(2-sulfanylidene-3h-1,3-thiazol-4-yl)thiophene-2-carboxamide (arotinolol Impurity)

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₆N₂OS₃
Molecular Weight	242.3 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	141
Heavy Atom Count	14
Formal Charge	0
Complexity	316
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