5-Thiazoleacetic acid,4-methyl- supplier

Name
4-METHYL-5-THIAZOLEACETIC ACID
EINECS 226-056-8
CAS No. 5255-33-4
Article Data5
CAS DataBase
Density 1.356 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂S
Boiling Point 315.1 °C at 760 mmHg
Molecular Weight 157.193
Flash Point 144.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-thiazoleaceticacid;
PSA 78.43000
LogP 1.07860

5-Thiazoleacetic acid,4-methyl- Specification

The CAS registry number of 5-Thiazoleacetic acid,4-methyl- is 5255-33-4. This chemical is also known as 4-Methylthiazol-5-acetic acid and 4-Methyl-1,3-thiazol-5-yl)acetic acid. The EINECS registry number of this chemical is 226-056-8. The molecular formula of it is C₆H₇NO₂S and molecular weight is157.19. Its IUPAC name is called 2-(4-methyl-1,3-thiazol-5-yl)acetic acid.

Physical properties about 5-Thiazoleacetic acid,4-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 38.66 cm³; (14)Molar Volume: 115.8 cm³; (15)Surface Tension: 58.6 dyne/cm; (16)Density: 1.356 g/cm³; (17)Flash Point: 144.4 °C; (18)Enthalpy of Vaporization: 58.73 kJ/mol; (19)Boiling Point: 315.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000189 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1scnc1C
(2)InChI: InChI=1/C6H7NO2S/c1-4-5(2-6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9)
(3)InChIKey: BHYWREOEQYCKSC-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	3800mg/kg (3800mg/kg)		Therapie. Vol. 26, Pg. 497, 1971. Link to PubMed

Product Name

4-METHYL-5-THIAZOLEACETIC ACID

5-Thiazoleacetic acid,4-methyl- Specification

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