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25389-28-0 | 3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
CAS No: 25389-28-0 Catalog No: AG00BBMP MDL No:
Product Description
Catalog Number:
AG00BBMP
Chemical Name:
3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
CAS Number:
25389-28-0
IUPAC Name:
3-(1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
InChI Key:
JIWVTDBBMGSTFI-UHFFFAOYSA-N
NSC Number:
51369
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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