1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-acetylthiophene-2-carboxamide

2.1.2 InChI

InChI=1S/C7H7NO2S/c1-4(9)5-2-3-6(11-5)7(8)10/h2-3H,1H3,(H2,8,10)

2.1.3 InChI Key

JFVJHFSCKAFLGD-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 68257-89-6

2. 2-thiophenecarboxamide,5-acetyl-

3. 5-acetyl-thiophene-2-carboxylic Acid Amide

4. Schembl11160378

5. Dtxsid70596662

6. Jfvjhfsckaflgd-uhfffaoysa-n

7. Akos006240815

8. As-81887

9. Cs-0179549

10. E82191

11. 5-acetylthiophene-2-carboxamide (arotinolol Impurity)

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NO₂S
Molecular Weight	169.20 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	88.4
Heavy Atom Count	11
Formal Charge	0
Complexity	193
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

CAS 68257-89-6