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858635-60-6 | Benzo[d]thiazole-2,4-diol
CAS No: 858635-60-6 Catalog No: AG00IDSQ MDL No:
Product Description
Catalog Number:
AG00IDSQ
Chemical Name:
Benzo[d]thiazole-2,4-diol
CAS Number:
858635-60-6
IUPAC Name:
4-hydroxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H5NO2S/c9-4-2-1-3-5-6(4)8-7(10)11-5/h1-3,9H,(H,8,10)
InChI Key:
DETQOUAODPQXCQ-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators. | Bioorganic & medicinal chemistry letters 20100901 |
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