7-Methoxy-1,4-benzothiazin-3(4H)-one - CAS 22726-30-3

Catalog:	BB017724
Product Name:	7-Methoxy-1,4-benzothiazin-3(4H)-one
CAS:	22726-30-3
Synonyms:	7-methoxy-4H-1,4-benzothiazin-3-one

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Computed Properties

IUPAC Name:	7-methoxy-4H-1,4-benzothiazin-3-one
Description:	7-Methoxy-1,4-benzothiazin-3(4H)-one (CAS# 22726-30-3) is a useful research chemical.
Molecular Weight:	195.24
Molecular Formula:	C9H9NO2S
Canonical SMILES:	COC1=CC2=C(C=C1)NC(=O)CS2
InChI:	InChI=1S/C9H9NO2S/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	ZITGVVWIRFDIBZ-UHFFFAOYSA-N
Boiling Point:	395.7 °C at 760 mmHg
Melting Point:	183-187 °C (lit.)
Purity:	95 %
Density:	1.282 g/cm³
MDL:	MFCD02660686
LogP:	1.87740

Publication Number	Title	Priority Date
US-2014086941-A1	SUBSTITUTED 2-BENZYLIDENE-2H-BENZO[b][1,4]THIAZIN-3(4H)-ONES, DERIVATIVES THEREOF, AND THERAPEUTIC USES THEREOF	20110527
US-9242945-B2	Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof	20110527
JP-WO2011115150-A1	Method for producing benzothiazine compound	20100318
WO-2011115150-A1	Method for producing benzothiazine compound	20100318
EP-1863483-A1	Bicyclic pyrazole compounds as antibacterial agents	20050331

PMID	Publication Date	Title	Journal
3027338	19870201	Inhibitors of cyclic AMP phosphodiesterase. 1. Analogues of cilostamide and anagrelide	Journal of medicinal chemistry

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Related Functional Groups

Thiazines

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GHS Hazard Statement:	H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.03539970
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.03539970
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4