2-Aminobenzothiazole-6-carboxylic Acid - CAS 93-85-6

Catalog:	BB041116
Product Name:	2-Aminobenzothiazole-6-carboxylic Acid
CAS:	93-85-6
Synonyms:	2-amino-1,3-benzothiazole-6-carboxylic acid; 2-amino-1,3-benzothiazole-6-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-1,3-benzothiazole-6-carboxylic acid
Description:	2-Aminobenzothiazole-6-carboxylic Acid (CAS# 93-85-6) is a useful research chemical.
Molecular Weight:	194.21
Molecular Formula:	C8H6N2O2S
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)SC(=N2)N
InChI:	InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChI Key:	ZEAKWWWXCZMODH-UHFFFAOYSA-N
Boiling Point:	466.6 °C at 760 mmHg
Density:	1.604 g/cm³
MDL:	MFCD00054180
LogP:	2.15790

Publication Number	Title	Priority Date
WO-2021150998-A1	Compositions for inhibition of herpesviruses	20200124
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118
WO-2020048949-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
EP-3847172-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
US-2021323957-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903

PMID	Publication Date	Title	Journal
22590132	20120501	catena-Poly[[(2-amino-1,3-benzothia-zole-6-carboxyl-ato-κ(2)O,O')(2,2'-bipyridyl-κ(2)N,N')cadmium]-μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato-κ(3)N(1):O,O']	Acta crystallographica. Section E, Structure reports online
21589352	20101130	catena-Poly[lead(II)-bis-(μ-2-amino-1,3-benzothia-zole-6-carboxyl-ato)]	Acta crystallographica. Section E, Structure reports online
18065951	20071112	Synthesis and biological activity of N-substituted-3-chloro-2-azetidinones	Molecules (Basel, Switzerland)
17600706	20070901	Phenylimidazole derivatives as new inhibitors of bacterial enoyl-ACP reductase FabK	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.01499861
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.01499861
Rotatable Bond Count:	1
Topological Polar Surface Area:	104 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8