Products Categories
CAS No.: | 15903-66-9 |
---|---|
Name: | 3-Methylisothiazole-4-carboxylic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C5H5NO2S |
Molecular Weight: | 143.166 |
Synonyms: | 3-Methylisothiazole-4-carboxylicacid; |
Density: | 1.418 g/cm3 |
Melting Point: | 235.5-237.5 °C |
Boiling Point: | 182.3 °C at 760 mmHg |
Flash Point: | 64.1 °C |
PSA: | 78.43000 |
LogP: | 1.14970 |
What can I do for you?
Get Best Price
The 4-Isothiazolecarboxylicacid, 3-methyl- is an organic compound with the formula C5H5NO2S. The systematic name of this chemical is 3-Methyl-1,2-thiazole-4-carboxylic acid. With the CAS registry number 15903-66-9, it is also named as 3-Methyl-4-isothiazolecarboxylic acid. The product's category is API intermediates. Besides, its molecular weight is 143.1637.
Physical properties about 4-Isothiazolecarboxylicacid, 3-methyl- are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): -1.41; (3)ACD/LogD (pH 7.4): -2.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 67.43 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 34.48 cm3; (14)Molar Volume: 100.9 cm3; (15)Polarizability: 13.67×10-24 cm3; (16)Surface Tension: 62.9 dyne/cm; (17)Density: 1.418 g/cm3; (18)Flash Point: 64.1 °C; (19)Enthalpy of Vaporization: 44.26 kJ/mol; (20)Boiling Point: 182.3 °C at 760 mmHg; (21)Vapour Pressure: 0.529 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
(2)InChIKey: BOTUFHIAKJCIPY-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
(4)Std. InChIKey: BOTUFHIAKJCIPY-UHFFFAOYSA-N