7-Chloro-2H-1,4-benzothiazin-3(4H)-one - CAS 5333-05-1

Catalog:	BB028148
Product Name:	7-Chloro-2H-1,4-benzothiazin-3(4H)-one
CAS:	5333-05-1
Synonyms:	7-chloro-4H-1,4-benzothiazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-chloro-4H-1,4-benzothiazin-3-one
Description:	7-Chloro-2H-1,4-benzothiazin-3(4H)-one (CAS# 5333-05-1) is a useful research chemical.
Molecular Weight:	199.66
Molecular Formula:	C8H6ClNOS
Canonical SMILES:	C1C(=O)NC2=C(S1)C=C(C=C2)Cl
InChI:	InChI=1S/C8H6ClNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:	JNPOLSNJHCFNCG-UHFFFAOYSA-N
Boiling Point:	383.9 °C at 760 mmHg
Density:	1.423 g/cm³
MDL:	MFCD00127344
LogP:	2.52220

Publication Number	Title	Priority Date
WO-2011151361-A1	Novel compounds	20100603
WO-2009106534-A1	Novel heterocyclic carboxamides as m1 agonists	20080226
WO-2007134169-A2	Indole, benzimidazole, and benzolactam boronic acid compounds, analogs thereof and methods of use thereof	20060510
WO-2007134169-A9	Indole, benzimidazole, and benzolactam boronic acid compounds, analogs thereof and methods of use thereof	20060510
EP-1863483-A1	Bicyclic pyrazole compounds as antibacterial agents	20050331

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9858627
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.9858627
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2