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13053-81-1 | Acetamide, N-2-thienyl-
CAS No: 13053-81-1 Catalog No: AG000UKP MDL No:MFCD00090379
Product Description
Catalog Number:
AG000UKP
Chemical Name:
Acetamide, N-2-thienyl-
CAS Number:
13053-81-1
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD00090379
IUPAC Name:
N-thiophen-2-ylacetamide
InChI:
InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
InChI Key:
FSATURPVOMZWBY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccs1
EC Number:
235-939-7
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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