3-Isothiazolecarboxaldehyde supplier

Name
isothiazole-3-carbaldehyde
EINECS
CAS No. 34490-97-6
Article Data2
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₄H₃NOS
Boiling Point 100.7 °C at 760 mmHg
Molecular Weight 113.14
Flash Point 14.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-formylisothiazole;Isothiazol-3-carboxaldehyd;3-Formylindolizin;3-Formyl-isothiazol;3-INDOLIZINECARBOXALDEHYDE;isothiazole-3-carbaldehyde;
PSA 58.20000
LogP 0.95560

3-Isothiazolecarboxaldehyde Specification

The CAS registry number of 3-Isothiazolecarboxaldehyde is 34490-97-6. This chemical's molecular formula is C₄H₃NOS and molecular weight is 113.14. What's more, its systematic name is called Isothiazole-3-carbaldehyde.

Physical properties about 3-Isothiazolecarboxaldehyde are: (1)ACD/LogP: 0.23; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.2 Å²; (9)Index of Refraction: 1.621; (10)Molar Refractivity: 29.48 cm³; (11)Molar Volume: 83.8 cm³; (12)Polarizability: 11.68×10^-24 cm³; (13)Surface Tension: 56.3 dyne/cm; (14)Density: 1.35 g/cm³; (15)Flash Point: 14.7 °C; (16)Enthalpy of Vaporization: 33.99 kJ/mol; (17)Boiling Point: 100.7 °C at 760 mmHg; (18)Vapour Pressure: 36.3 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1csnc1C=O
(2) InChI: InChI=1/C4H3NOS/c6-3-4-1-2-7-5-4/h1-3H
(3) InChIKey: UTYMNDRFIGGIDB-UHFFFAOYAE

Product Name

isothiazole-3-carbaldehyde

3-Isothiazolecarboxaldehyde Specification

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