Chemical Properties of Isothiazole, 4-methyl- (CAS 693-90-3)

Isothiazole, 4-methyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C4H5NS/c1-4-2-5-6-3-4/h2-3H,1H3
InChI Key
YUTQRQJTFPEEPB-UHFFFAOYSA-N
Formula
C4H5NS
SMILES
Cc1cnsc1
Molecular Weight1
99.15
CAS
693-90-3
Other Names
  • 4-Methylisothiazole
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 9.25 eV NIST
log10WS -1.47 Crippen Calculated Property
logPoct/wat 1.452 Crippen Calculated Property
McVol 74.090 ml/mol McGowan Calculated Property

Similar Compounds

Isothiazole, 4,5-dimethyl-. Isothiazole, trimethyl-. Isothiazole, 3-methyl-. Thiophene, 3-methyl-. Isothiazole, 5-methyl-. 2,5-Dimethylpyrimidine. Pyrimidine, 5-methyl-. Isothiazole. Pyridine, 3,5-dimethyl-. 1H-Pyrrole, 3-methyl-. 3-Thiophenemethanol. Thiophene, 2,4-dimethyl-. 4-Methylpyridazine. Fomepizole. Isothiazole, 4-nitro-.

Find more compounds similar to Isothiazole, 4-methyl-.

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.