2-Chlorobenzothiazole - CAS 615-20-3

Catalog:	BB031158
Product Name:	2-Chlorobenzothiazole
CAS:	615-20-3
Synonyms:	2-chloro-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1,3-benzothiazole
Description:	2-Chlorobenzothiazole (CAS# 615-20-3) is a useful research chemical compound.
Molecular Weight:	169.63
Molecular Formula:	C7H4ClNS
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)Cl
InChI:	InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:	BSQLQMLFTHJVKS-UHFFFAOYSA-N
Boiling Point:	141 °C (30 mmHg)
Density:	1.371 g/cm³
MDL:	MFCD00005776
LogP:	2.94970

Publication Number	Title	Priority Date
WO-2021080333-A1	Compound for organic electric element, organic electric element using same, and electronic device therefor	20191021
WO-2021046194-A1	Tryptoline-based benzothiazoles and their use as antibiotics and antibiotic resistance-modifying agents	20190903
WO-2021033970-A1	Compound for organic electronic element, organic electronic element using same, and electronic device thereof	20190820
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
WO-2020242161-A1	Novel compound and organic light emitting device using same	20190524

PMID	Publication Date	Title	Journal
22220061	20111101	1,3-Benzothia-zole-2(3H)-selone	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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GHS Hazard Statement:	H301 (83.33%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P271, P273, P280, P284, P301+P310, P301+P312, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.9752980
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.9752980
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2