4-Thiazoleacetic acid,2-methyl- supplier

Name
(2-METHYL-THIAZOL-4-YL)-ACETIC ACID
EINECS
CAS No. 13797-62-1
Density 1.356 g/cm³
Solubility
Melting Point 125-126 °C
Formula C₆H₇NO₂S
Boiling Point 304.9 °C at 760 mmHg
Molecular Weight 157.193
Flash Point 138.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms (2-Methyl-1,3-thiazol-4-yl)aceticacid;(2-Methylthiazol-4-yl)acetic acid;2-(2-Methyl-1,3-thiazol-4-yl)aceticacid;2-(2-Methylthiazol-4-yl)acetic acid;2-Methylthiazole-4-acetic acid;
PSA 78.43000
LogP 1.07860

4-Thiazoleacetic acid,2-methyl- Specification

The CAS register number of 4-Thiazoleacetic acid,2-methyl- is 13797-62-1. It also can be called as (2-Methyl-1,3-thiazol-4-yl)aceticacid and the IUPAC name about this chemical is 2-(2-methyl-1,3-thiazol-4-yl)acetic acid. The molecular formula about this chemical is C₆H₇NO₂S and the molecular weight is 157.19.

Physical properties about 4-Thiazoleacetic acid,2-methyl- are: (1)ACD/LogP: 0.39; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 67.43 Å²; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 38.66 cm³; (12)Molar Volume: 115.8 cm³; (13)Polarizability: 15.32x10^-24cm³; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.356 g/cm³; (16)Flash Point: 138.2 °C; (17)Enthalpy of Vaporization: 57.58 kJ/mol; (18)Boiling Point: 304.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000372 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1nc(sc1)C
(2)InChI: InChI=1/C6H7NO2S/c1-4-7-5(3-10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
(3)InChIKey: RJCFWJNYLJRLRC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H7NO2S/c1-4-7-5(3-10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
(5)Std. InChIKey: RJCFWJNYLJRLRC-UHFFFAOYSA-N

Product Name

(2-METHYL-THIAZOL-4-YL)-ACETIC ACID

4-Thiazoleacetic acid,2-methyl- Specification

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