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23615-60-3 | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
CAS No: 23615-60-3 Catalog No: AG00BR8B MDL No:MFCD00099325
Product Description
Catalog Number:
AG00BR8B
Chemical Name:
2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
CAS Number:
23615-60-3
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD00099325
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole
InChI:
InChI=1S/C12H11N3S/c1-8-7-9(2)15(14-8)12-13-10-5-3-4-6-11(10)16-12/h3-7H,1-2H3
InChI Key:
QIVHQZNEFYWQJH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1nc2c(s1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis, X-ray structure and cytotoxic effect of nickel(II) complexes with pyrazole ligands. | European journal of medicinal chemistry 20111201 |
| 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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