4-Methoxybenzo[d]thiazol-2(3H)-one - CAS 80567-66-4

Catalog:	BB036525
Product Name:	4-Methoxybenzo[d]thiazol-2(3H)-one
CAS:	80567-66-4
Synonyms:	4-methoxy-3H-1,3-benzothiazol-2-one; 4-methoxy-3H-1,3-benzothiazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-3H-1,3-benzothiazol-2-one
Description:	4-Methoxybenzo[d]thiazol-2(3H)-one (CAS# 80567-66-4) is a useful research chemical.
Molecular Weight:	181.21
Molecular Formula:	C8H7NO2S
Canonical SMILES:	COC1=C2C(=CC=C1)SC(=O)N2
InChI:	InChI=1S/C8H7NO2S/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10)
InChI Key:	BOKIESUSRKISCV-UHFFFAOYSA-N
Density:	1.346 g/cm³
MDL:	MFCD09748564
LogP:	1.59820

Publication Number	Title	Priority Date
KR-101802691-B1	6-substituted-3h-1,3-benzothiazol-2-one compounds as tarp-gamma 8 dependent ampa receptor antagonists	20140528
KR-20160141862-A	6-substituted-3h-1,3-benzothiazol-2-one compounds as tarp-gamma 8 dependent ampa receptor antagonists	20140528
EP-1525180-A2	Arylethanolamine beta2-adrenoreceptor agonist compounds	20020725
US-2006111344-A1	Arylethanolamine beta2-adrenoreceptor agonist compounds	20020725
US-7402598-B2	Arylethanolamine Î²2-adrenoreceptor agonist compounds	20020725

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Related Functional Groups

Carbonyl Compounds

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[51493-02-8]
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[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.01974964
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.01974964
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6