4-Isothiazolecarboxylicacid supplier

Name
4-Carboxyisothiazole
EINECS
CAS No. 822-82-2
Density 1.525 g/cm³
Solubility
Melting Point 162 °C
Formula C₄H₃NO₂S
Boiling Point 175.82 °C at 760 mmHg
Molecular Weight 129.139
Flash Point 60.134 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Carboxyisothiazole;
PSA 78.43000
LogP 0.84130

4-Isothiazolecarboxylicacid Specification

This chemical is called 4-Isothiazolecarboxylicacid, and its systematic name is 1,2-Thiazole-4-carboxylic acid. With the molecular formula of C₄H₃NO₂S, its molecular weight is 129.14. The CAS registry number of the chemical is 822-82-2. Additionally, its product category is API intermediates.

Other characteristics of 4-Isothiazolecarboxylicacid can be summarised as followings: (1)ACD/LogP: 0.92; (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: 78.43 Å²; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 29.658 cm³; (13)Molar Volume: 84.666 cm³; (14)Polarizability: 11.758×10^-24cm³; (15)Surface Tension: 72.094 dyne/cm; (16)Density: 1.525 g/cm³; (17)Flash Point: 60.134 °C; (18)Enthalpy of Vaporization: 43.583 kJ/mol; (19)Boiling Point: 175.82 °C at 760 mmHg; (20)Vapour Pressure: 0.745 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1csnc1
2.InChI: InChI=1/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
3.InChIKey: PCXTYKGTWQCNJI-UHFFFAOYAX
4.Std. InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
5.Std. InChIKey: PCXTYKGTWQCNJI-UHFFFAOYSA-N

Product Name

4-Carboxyisothiazole

4-Isothiazolecarboxylicacid Specification

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