7-Methyl-1,4-benzothiazin-3(4H)-one - CAS 30322-02-2

Catalog:	BB020551
Product Name:	7-Methyl-1,4-benzothiazin-3(4H)-one
CAS:	30322-02-2
Synonyms:	7-methyl-4H-1,4-benzothiazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	7-methyl-4H-1,4-benzothiazin-3-one
Description:	7-Methyl-1,4-benzothiazin-3(4H)-one (CAS# 30322-02-2) is a useful research chemical.
Molecular Weight:	179.24
Molecular Formula:	C9H9NOS
Canonical SMILES:	CC1=CC2=C(C=C1)NC(=O)CS2
InChI:	InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	ODJQMWDFNLNCTM-UHFFFAOYSA-N
Boiling Point:	364.5 °C at 760 mmHg
Melting Point:	207-209 °C (lit.)
Purity:	95 %
Density:	1.24 g/cm³
MDL:	MFCD02660690
LogP:	2.17720

Publication Number	Title	Priority Date
WO-2014060112-A1	Pyrazolo[4,3-d]pyrimidines as kinase inhibitors	20121019
WO-2014060113-A1	Novel kinase inhibitors	20121019
EP-2751083-B1	Quinolone compound	20110831
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

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Related Functional Groups

Thiazines

[24683-26-9]
Ethyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate
[133778-13-9]
4-Phenyl-1,2-thiazinane 1,1-dioxide
[461-89-2]
6-Azauracil
[5333-05-1]
7-Chloro-2H-1,4-benzothiazin-3(4H)-one

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GHS Hazard Statement:	H317 (100%): 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:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.04048508
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.04048508
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8