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6269-47-2 | Benzothiazole, 2-(2-methoxyphenyl)-
CAS No: 6269-47-2 Catalog No: AG00EIHO MDL No:MFCD00505204
Product Description
Catalog Number:
AG00EIHO
Chemical Name:
Benzothiazole, 2-(2-methoxyphenyl)-
CAS Number:
6269-47-2
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD00505204
IUPAC Name:
2-(2-methoxyphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C14H11NOS/c1-16-12-8-4-2-6-10(12)14-15-11-7-3-5-9-13(11)17-14/h2-9H,1H3
InChI Key:
UAKADWQYPAMUOJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nc2c(s1)cccc2
NSC Number:
33754
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. | Journal of medicinal chemistry 20090312 |
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