2-Phenyl-1,3-thiazole-4-carboxylic Acid - CAS 7113-10-2

Catalog:	BB034315
Product Name:	2-Phenyl-1,3-thiazole-4-carboxylic Acid
CAS:	7113-10-2
Synonyms:	2-phenyl-4-thiazolecarboxylic acid; 2-phenyl-1,3-thiazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-phenyl-1,3-thiazole-4-carboxylic acid
Description:	2-Phenyl-1,3-thiazole-4-carboxylic Acid (CAS# 7113-10-2) is a useful research chemical.
Molecular Weight:	205.23
Molecular Formula:	C10H7NO2S
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
InChI:	InChI=1S/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:	IBUSLNJQKLZPNR-UHFFFAOYSA-N
Boiling Point:	420.5 °C at 760 mmHg
Density:	1.368 g/cm³
Solubility:	28.2 [ug/mL] (The mean of the results at pH 7.4)
LogP:	2.50830

Publication Number	Title	Priority Date
CN-111875559-A	Thiazole hydrazide derivatives and application thereof as agricultural bactericide	20200817
CN-111892532-A	Method for synthesizing 3-Cl propionyl substituted heterocyclic compound containing N by using micro-reaction device	20200813
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
TW-202043234-A	Gpr35 modulators	20190124
US-2020192222-A1	Resist composition and patterning process	20181218

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.01974964
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.01974964
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5