Ethyl benzothiazole-2-carboxylate - CAS 32137-76-1

Catalog:	BB021196
Product Name:	Ethyl benzothiazole-2-carboxylate
CAS:	32137-76-1
Synonyms:	ethyl 1,3-benzothiazole-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 1,3-benzothiazole-2-carboxylate
Description:	Ethyl benzothiazole-2-carboxylate (CAS# 32137-76-1) is a useful research chemical.
Molecular Weight:	207.25
Molecular Formula:	C10H9NO2S
Canonical SMILES:	CCOC(=O)C1=NC2=CC=CC=C2S1
InChI:	InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
InChI Key:	VLQLCEXNNGQELL-UHFFFAOYSA-N
Boiling Point:	312.8 °C at 760 mmHg
Density:	1.29 g/cm³
Appearance:	White to tan powder, crystals or crystalline powder and/or chunks
MDL:	MFCD00848360
LogP:	2.47300

Publication Number	Title	Priority Date
CN-109608415-B	Thiazole methanamide compound and synthesis and application thereof	20190121
US-10655015-B2	Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures	20180922
US-2020095424-A1	Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures	20180922
WO-2020033784-A1	Transglutaminase 2 (tg2) inhibitors	20180810
TW-202023553-A	Transglutaminase 2 (tg2) inhibitors	20180810

PMID	Publication Date	Title	Journal
29902722	20180715	Benzo[d]thiazole-2-carbanilides as new anti-TB chemotypes: Design, synthesis, biological evaluation, and structure-activity relationship	European journal of medicinal chemistry
27061982	20160630	Benzo[d]thiazol-2-yl(piperazin-1-yl)methanones as new anti-mycobacterial chemotypes: Design, synthesis, biological evaluation and 3D-QSAR studies	European journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
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[1006443-01-1]
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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[132089-32-8]
Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate
[886497-58-1]
Ethyl 2-(cyclopentylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0353997
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.0353997
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9