2-methyl-1,3-benzothiazole-5-carboxylic acid - CAS 24851-69-2

Name: 2-methyl-1,3-benzothiazole-5-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018640
Product Name:	2-methyl-1,3-benzothiazole-5-carboxylic acid
CAS:	24851-69-2
Synonyms:	2-methyl-1,3-benzothiazole-5-carboxylic acid; 2-methyl-1,3-benzothiazole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-1,3-benzothiazole-5-carboxylic acid
Description:	2-methyl-1,3-benzothiazole-5-carboxylic acid (CAS# 24851-69-2) is a useful research chemical.
Molecular Weight:	193.22
Molecular Formula:	C9H7NO2S
Canonical SMILES:	CC1=NC2=C(S1)C=CC(=C2)C(=O)O
InChI:	InChI=1S/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key:	TVUFPZOJUJGDDD-UHFFFAOYSA-N
Boiling Point:	385.2 °C at 760 mmHg
Density:	1.43 g/cm³
MDL:	MFCD00498510
LogP:	2.30290

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Related Functional Groups

Benzoxazole/Benzothiazole

[313402-37-8]C14H12N2S
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[1326714-98-0]C7H4BrNS
4-Bromobenzo[d]isothiazole
[101253-50-3]C8H7ClN2S
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[70785-26-1]C14H12N2S
N-(4-methylphenyl)benzothiazol-2-amine
[1215553-99-3]C14H13ClN2S
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[6481-01-2]C7H2Cl3NO
2,5,7-Trichlorobenzoxazole

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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

Publication Number	Title	Priority Date
US-2020361920-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20190513
US-2017050980-A1	Oxadiazine compounds and methods of use thereof	20150818
WO-2017031325-A1	Oxadiazine compounds and methods of use thereof	20150818
EP-3310776-A2	Inhibitors of bruton's tyrosine kinase	20150602
JP-2018522823-A	Inhibitors of Breton-type tyrosine kinase	20150602

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.01974964
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.01974964
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3