5-Amino-2-chlorobenzothiazole - CAS 80945-82-0

Catalog:	BB036590
Product Name:	5-Amino-2-chlorobenzothiazole
CAS:	80945-82-0
Synonyms:	2-chloro-1,3-benzothiazol-5-amine; 2-chloro-1,3-benzothiazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1,3-benzothiazol-5-amine
Description:	5-Amino-2-chlorobenzothiazole (CAS# 80945-82-0) is a useful research chemical.
Molecular Weight:	184.65
Molecular Formula:	C7H5ClN2S
Canonical SMILES:	C1=CC2=C(C=C1N)N=C(S2)Cl
InChI:	InChI=1S/C7H5ClN2S/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H,9H2
InChI Key:	CTSXDZRWGMASOV-UHFFFAOYSA-N
Boiling Point:	337.3 °C at 760 mmHg
Density:	1.532 g/cm³
MDL:	MFCD11040282
LogP:	3.11310

Publication Number	Title	Priority Date
WO-2019233745-A1	Novel compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates	20180604
CN-112313230-A	Novel compounds for treating, alleviating or preventing conditions associated with Tau aggregates	20180604
EP-3802528-A1	Novel compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates	20180604
US-2021214371-A1	Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates	20180604
AU-2016284942-A1	NADPH oxidase 4 inhibitors	20150622

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.9861970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.9861970
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6