2-Iodobenzothiazole - CAS 1123-99-5

Catalog:	BB002959
Product Name:	2-Iodobenzothiazole
CAS:	1123-99-5
Synonyms:	2-iodo-1,3-benzothiazole; 2-iodo-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-1,3-benzothiazole
Description:	2-Iodobenzothiazole (CAS# 1123-99-5) is a useful research chemical.
Molecular Weight:	261.08
Molecular Formula:	C7H4INS
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)I
InChI:	InChI=1S/C7H4INS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:	WTKCRPLRJZZCMJ-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00971971
LogP:	2.90090

Publication Number	Title	Priority Date
CN-112341453-A	Fluorescent probe based on coumarin and preparation method and application thereof	20201105
CN-111777571-A	Synthesis method of chiral 2-amino-3- (1, 3-benzothiazole-2-yl) propionic acid hydrochloride	20200628
US-2021167301-A1	Organometallic compound, organic light-emitting device including the same and apparatus including the organometallic compound	20191128
WO-2021014973-A1	Wavelength-selective absorption filter and organic electroluminescence display device	20190725
WO-2020116642-A1	Resin composition, optical filter, image display device, solid-state imaging element, and dye mixture	20181207

PMID	Publication Date	Title	Journal
12098301	20020712	Synthesis of macrocyclic, potential protease inhibitors using a generic scaffold	The Journal of organic chemistry

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Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.91092
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.91092
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3