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133044-31-2 | 2(3H)-Benzothiazolone, 6-benzoyl-
CAS No: 133044-31-2 Catalog No: AG0011KM MDL No:
Product Description
Catalog Number:
AG0011KM
Chemical Name:
2(3H)-Benzothiazolone, 6-benzoyl-
CAS Number:
133044-31-2
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
6-benzoyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H9NO2S/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)
InChI Key:
LVYHRYBZGHHJEU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)sc(=O)[nH]2)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Lipid-lowering properties of 6-benzoyl-2(3H)-benzothiazolone and structurally related compounds. | Journal of enzyme inhibition and medicinal chemistry 20051201 |
| Synthesis and pharmacological evaluation of analgesic 6-substituted 2(3H)-benzothiazolones. | Drug design and discovery 20010101 |
| Synthesis and antiviral activity of 6-benzoyl-benzoxazolin-2-one and 6-benzoyl-benzothiazolin-2-one derivatives. | Antiviral chemistry & chemotherapy 19990301 |
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