5-Isothiazolecarboxylicacid,3-methyl- supplier

Name
3-Methylisothiazole-5-carboxylic acid
EINECS
CAS No. 66975-83-5
Density 1.418 g/cm³
Solubility
Melting Point 206 °C (decomp)
Formula C₅H₅NO₂S
Boiling Point 187.8 °C at 760 mmHg
Molecular Weight 143.166
Flash Point 67.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methylisothiazole-5-carboxylicacid;NSC 119863;
PSA 78.43000
LogP 1.14970

5-Isothiazolecarboxylicacid,3-methyl- Specification

The CAS registry number of 5-Isothiazolecarboxylicacid,3-methyl- is 66975-83-5. The IUPAC name is 3-methyl-1,2-thiazole-5-carboxylic acid. In addition, the formula is C₅H₅NO₂S and the molecular weight is 143.1637. It should be stored in a cool environment.

Physical properties about 5-Isothiazolecarboxylicacid,3-methyl- are: (1)ACD/LogP: 0.95; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.43 Å²; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 34.48 cm³; (13)Molar Volume: 100.9 cm³; (14)Polarizability: 13.67 ×10^-24cm³; (15)Surface Tension: 62.9 dyne/cm; (16)Density: 1.418 g/cm³; (17)Flash Point: 67.4 °C; (18)Enthalpy of Vaporization: 44.83 kJ/mol; (19)Boiling Point: 187.8 °C at 760 mmHg; (20)Vapour Pressure: 0.395 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1snc(c1)C
(2)InChI: InChI=1/C5H5NO2S/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
(3)InChIKey: YANZAAFELHVNQZ-UHFFFAOYAN

Product Name

3-Methylisothiazole-5-carboxylic acid

5-Isothiazolecarboxylicacid,3-methyl- Specification

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