Chemical Properties of Isothiazole (CAS 288-16-4)

Isothiazole

PDF Excel Molecule Calculator
InChI
InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H
InChI Key
ZLTPDFXIESTBQG-UHFFFAOYSA-N
Formula
C3H3NS
SMILES
c1cnsc1
Molecular Weight1
85.13
CAS
288-16-4
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE [9.55; 9.80] eV Show Hide
IE 9.80 eV NIST
IE 9.55 eV NIST
IE 9.62 eV NIST
log10WS -0.99 Crippen Calculated Property
logPoct/wat 1.143 Crippen Calculated Property
McVol 60.000 ml/mol McGowan Calculated Property

Similar Compounds

Isothiazole, 5-methyl-. Isothiazole, 3-methyl-. Isothiazole, 4-methyl-. Isothiazole, 4-nitro-. 3(2H)-Isothiazolone, 2-methyl-. Isothiazole, 4-phenyl-. Thiophene. 5-Chloro-2-methyl-3(2H)-isothiazolone. Thiophene, 2-chloro-. 3-Chlorothiophene. Thiophene, 2-bromo-. Thiophene, 2-iodo-. 1,2-Benzisothiazole. 3-Iodothiophene. 1H-Pyrrole, 1-methyl-.

Find more compounds similar to Isothiazole.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.