(2,4-Dimethyl-1,3-thiazol-5-yl)acetic acid supplier

Name
(2,4-DIMETHYL-THIAZOL-5-YL)-ACETIC ACID
EINECS
CAS No. 34272-65-6
Article Data4
CAS DataBase
Density 1.295 g/cm³
Solubility
Melting Point
Formula C₇H₉NO₂S
Boiling Point 320.5 °C at 760 mmHg
Molecular Weight 171.22
Flash Point 147.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-DIAMINOQUINAZOLINE;(2,4-Dimethyl-thiazol-5-yl)-essigsaeure;(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;2,4-Dimethyl-5-thiazolessigsaeure;5-Thiazoleacetic acid,2,4-dimethyl;2,4-dimethylthiazole-5-acetic acid;2-(2,4-Dimethylthiazol-5-yl)acetic acid;2,4-Dimethyl-5-thiazoleacetic acid;(2,4-dimethyl-1,3-thiazole-5-yl)acetic acid;F3099-7071;(2,4-Dimethyl-thiazol-5-yl)-acetic acid;
PSA 78.43000
LogP 1.38700

(2,4-Dimethyl-1,3-thiazol-5-yl)acetic acid Specification

The CAS registry number of 5-Thiazoleacetic acid,2,4-dimethyl- is 34272-65-6. This chemical is also known as 2,4-Dimethyl-5-thiazoleacetic acid. The molecular formula of it is C₇H₉NO₂S and molecular weight is 171.22. Its IUPAC name is called 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid. This chemical's classification codes are Drug; Therapeutic Agent. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.14; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.572; (11)Molar Refractivity: 43.49 cm³; (12)Molar Volume: 132.1 cm³; (13)Surface Tension: 54 dyne/cm; (14)Density: 1.295 g/cm³; (15)Flash Point: 147.7 °C; (16)Enthalpy of Vaporization: 59.35 kJ/mol; (17)Boiling Point: 320.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000131 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1sc(nc1C)C
(2)InChI: InChI=1/C7H9NO2S/c1-4-6(3-7(9)10)11-5(2)8-4/h3H2,1-2H3,(H,9,10)
(3)InChIKey: VVEIGFCSKPLKGZ-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	4250mg/kg (4250mg/kg)		Therapie. Vol. 26, Pg. 497, 1971. Link to PubMed

Product Name

(2,4-DIMETHYL-THIAZOL-5-YL)-ACETIC ACID

(2,4-Dimethyl-1,3-thiazol-5-yl)acetic acid Specification

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