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647026-37-7 | Phenol, 4-[(1,2-benzisothiazol-3-ylimino)methyl]-2-methoxy-
CAS No: 647026-37-7 Catalog No: AG00H825 MDL No:
Product Description
Catalog Number:
AG00H825
Chemical Name:
Phenol, 4-[(1,2-benzisothiazol-3-ylimino)methyl]-2-methoxy-
CAS Number:
647026-37-7
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
4-(1,2-benzothiazol-3-yliminomethyl)-2-methoxyphenol
InChI:
InChI=1S/C15H12N2O2S/c1-19-13-8-10(6-7-12(13)18)9-16-15-11-4-2-3-5-14(11)20-17-15/h2-9,18H,1H3
InChI Key:
GYFDKJCJDYWLFR-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2nsc3c2cccc3)ccc1O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of benzo[d]isothiazole, benzothiazole and thiazole Schiff bases. | Bioorganic & medicinal chemistry 20031103 |
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