4-Isothiazolecarboxaldehyde supplier

Name
Isothiazole-4-carbaldehyde
EINECS
CAS No. 822-54-8
Article Data7
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₄H₃NOS
Boiling Point 98.454 °C at 760 mmHg
Molecular Weight 113.14
Flash Point 13.345 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Isothiazolecarboxaldehyde
PSA 58.20000
LogP 0.95560

4-Isothiazolecarboxaldehyde Specification

The 4-Isothiazolecarboxaldehyde, with the CAS registry number 822-54-8, has the molecular formula C₄H₃NOS. Its molecular weight is 113.1377. Moreover, its systematic name is isothiazole-4-carbaldehyde.

Other characteristics of the 4-Isothiazolecarboxaldehyde can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.2 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 29.481 cm³; (9)Molar Volume: 83.803 cm³; (10)Polarizability: 11.687×10^-24cm³; (11)Surface Tension: 56.384 dyne/cm; (12)Density: 1.35 g/cm³; (13)Flash Point: 13.345 °C; (14)Enthalpy of Vaporization: 33.787 kJ/mol; (15)Boiling Point: 98.454 °C at 760 mmHg; (16)Vapour Pressure: 39.936 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1csnc1
2.InChI: InChI=1/C4H3NOS/c6-2-4-1-5-7-3-4/h1-3H
3.InChIKey: UNRYEXYOMXENNP-UHFFFAOYAI

Product Name

Isothiazole-4-carbaldehyde

4-Isothiazolecarboxaldehyde Specification

Related Products

Hot Products