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167905-63-7 | 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-
CAS No: 167905-63-7 Catalog No: AG001XOU MDL No:
Product Description
Catalog Number:
AG001XOU
Chemical Name:
2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-
CAS Number:
167905-63-7
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
6-(3-methylbenzoyl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C15H11NO2S/c1-9-3-2-4-10(7-9)14(17)11-5-6-12-13(8-11)19-15(18)16-12/h2-8H,1H3,(H,16,18)
InChI Key:
PONPNOINMMBWOZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 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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