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1629-75-0 | 2-BENZOYLBENZOTHIAZOLE
CAS No: 1629-75-0 Catalog No: AG01EJXG MDL No:MFCD00093781
Product Description
Catalog Number:
AG01EJXG
Chemical Name:
2-BENZOYLBENZOTHIAZOLE
CAS Number:
1629-75-0
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
MDL Number:
MFCD00093781
IUPAC Name:
1,3-benzothiazol-2-yl(phenyl)methanone
InChI:
InChI=1S/C14H9NOS/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h1-9H
InChI Key:
HCIZWCSGIMQTDC-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)cccc2)c1ccccc1
NSC Number:
252936
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Antiviral agents. 1. Benzothiazole and benzoxazole analogs of 2-(alpha-hydroxybenzyl)benzimidazole. | Journal of medicinal chemistry 19710601 |
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