5-Thiazoleacetic acid,2,3-dihydro-4-methyl-2-thioxo- (34272-64-5)

The 2-Mercapto-4-methyl-5-thiazoleacetic acid , with cas registry number of 34272-64-5, is also called 2,3-Dihydro-4-methyl-2-thioxothiazol-5-acetic acid ; 5-Thiazoleacetic acid, 2-mercapto-4-methyl- . Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid . And The systematic name is also called (4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)acetic acid . It belongs to the categories of (1)Organic acids; (2)Heterocyclic Compounds; (3)Building Blocks; (4)Heterocyclic Building Blocks; (5)Thiazoles.

Physical properties of 2-Mercapto-4-methyl-5-thiazoleacetic acid : (1) ACD/LogP: 1.55 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -0.06 ; (4) ACD/LogD (pH 7.4): -1.8 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 4.1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 3 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 2 ; (12) Index of Refraction: 1.692 ; (13) Molar Refractivity: 47.66 cm³ ; (14) Molar Volume: 124.3 cm³ ; (15) Surface Tension: 78.7 dyne/cm ; (16) Enthalpy of Vaporization: 66.94 kJ/mol ; (17) Vapour Pressure: 2.86E-06 mmHg at 25°C.

Uses of 2-Mercapto-4-methyl-5-thiazoleacetic acid : this compound is mainly used as bulk drugs and intermediates for Cephalosporins. Fot example, it can be used as intermediate for antibiotics Cefodizime.

When you are using this chemical, please be cautious about it as the following:
The 2-Mercapto-4-methyl-5-thiazoleacetic acid irritates to eyes, respiratory system and skin. If you will use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:S=C1S\C(=C(/N1)C)CC(=O)O;
(2) InChI:InChI=1/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9);
(3) InChIKey:KYBOCQHDFLVQIB-UHFFFAOYAC

The toxicity data is as follows: