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40925-65-3 | 6-METHOXY-2(3H)-BENZOTHIAZOLONE
CAS No: 40925-65-3 Catalog No: AG00C8YG MDL No:MFCD09743851
Product Description
Catalog Number:
AG00C8YG
Chemical Name:
6-METHOXY-2(3H)-BENZOTHIAZOLONE
CAS Number:
40925-65-3
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD09743851
IUPAC Name:
6-methoxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NO2S/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
NMPYQLRSABFZAG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Inhibitors of cyclic AMP phosphodiesterase. 1. Analogues of cilostamide and anagrelide. | Journal of medicinal chemistry 19870201 |
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