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2295-38-7 | Benzothiazole, 2-(4-pyridinyl)-
CAS No: 2295-38-7 Catalog No: AG002LNK MDL No:MFCD00569545
Product Description
Catalog Number:
AG002LNK
Chemical Name:
Benzothiazole, 2-(4-pyridinyl)-
CAS Number:
2295-38-7
Molecular Formula:
C12H8N2S
Molecular Weight:
212.2703
MDL Number:
MFCD00569545
IUPAC Name:
2-pyridin-4-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H8N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H
InChI Key:
PDSIQRUYAXGTJG-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1nc2c(s1)cccc2
NSC Number:
38712
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.27g/mol
Monoisotopic Mass:
212.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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