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Also known as: 68257-89-6, 2-thiophenecarboxamide,5-acetyl-, 5-acetyl-thiophene-2-carboxylic acid amide, Schembl11160378, Dtxsid70596662, Jfvjhfsckaflgd-uhfffaoysa-n
Molecular Formula
C7H7NO2S
Molecular Weight
169.20  g/mol
InChI Key
JFVJHFSCKAFLGD-UHFFFAOYSA-N

CAS 68257-89-6
1 2D Structure

CAS 68257-89-6

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 Weight 169.20 g/mol
Molecular Formula C7H7NO2S
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area88.4
Heavy Atom Count11
Formal Charge0
Complexity193
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

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