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15903-58-9 | 2-(O-TOLYL)BENZOTHIAZOLE
CAS No: 15903-58-9 Catalog No: AG00APL0 MDL No:MFCD00043582
Product Description
Catalog Number:
AG00APL0
Chemical Name:
2-(O-TOLYL)BENZOTHIAZOLE
CAS Number:
15903-58-9
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD00043582
IUPAC Name:
2-(2-methylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C14H11NS/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14/h2-9H,1H3
InChI Key:
AMWVFOHECZHTQT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nc2c(s1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. | Bioorganic & medicinal chemistry 20110715 |
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