Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Isothiazolecarboxaldehyde |
EINECS | N/A |
CAS No. | 822-54-8 | Density | 1.35 g/cm3 |
PSA | 58.20000 | LogP | 0.95560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H3NOS | Boiling Point | 98.454 °C at 760 mmHg |
Molecular Weight | 113.14 | Flash Point | 13.345 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Isothiazolecarboxaldehyde |
Article Data | 7 |
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