6-Bromo-2-benzothiazolinone - CAS 62266-82-4

Catalog:	BB031493
Product Name:	6-Bromo-2-benzothiazolinone
CAS:	62266-82-4
Synonyms:	6-bromo-3H-1,3-benzothiazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-3H-1,3-benzothiazol-2-one
Description:	6-Bromo-2-benzothiazolinone (CAS# 62266-82-4) is a useful research chemical.
Molecular Weight:	230.08
Molecular Formula:	C7H4BrNOS
Canonical SMILES:	C1=CC2=C(C=C1Br)SC(=O)N2
InChI:	InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:	HECJMTPEVWQFCY-UHFFFAOYSA-N
Density:	1.815 g/cm³
Appearance:	White powder
MDL:	MFCD00239363
LogP:	2.35210

Publication Number	Title	Priority Date
CN-113087683-A	Nitrogen-substituted benzothiazolinone XOR/URAT1 dual inhibitor and preparation method and application thereof	20210322
WO-2020244452-A1	HETEROCYCLIC DERIVATIVE HAVING Î²2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF	20190606
KR-20200138086-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20190531
WO-2020240492-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20190531
TW-202045491-A	Azole derivatives	20190220

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[2682-20-4]
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[1003993-33-6]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.9197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.9197
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5