Chemical Properties of Isothiazole, 4-nitro-

Isothiazole, 4-nitro-

InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H
InChI Key
FNXPAYVHLSTHQY-UHFFFAOYSA-N
Formula
C3H2N2O2S
SMILES
O=[N+]([O-])c1cnsc1
Molecular Weight1
130.13
Other Names
  • 4-Nitroisothiazole
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Physical Properties

Property Value Unit Source
IE 10.45 eV NIST
log10WS -1.58 Relay (1.0) Calculated Property
logPoct/wat 1.051 Crippen Calculated Property
McVol 77.420 ml/mol McGowan Calculated Property
Tboil 502.49 K Relay (1.0) Calculated Property
Tfus 369.23 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

1H-Pyrazole, 4-nitro-. 2(1H)-Pyridinone, 5-nitro-. 1-Di(tert-butyl)silyloxy-4-nitrobenzene. Pyrimidine, 5-nitro-2-styryl-. 2-Bromo-5-nitrobenzotrifluoride. 5-Nitrobenzisoxazole. trans-2-Phenylcyclopropylamine, N-trimethylsilyl-. 7-Chloro-3-methyl-quinoline-8-carboxylic acid, tert-butyldimethylsilyl ester. 2-Fluoro-5-nitrobenzyl alcohol, benzyldimethylsilyl ether. Nitrobenzene, 3-trimethylsilylamino-4-trimethylsilyloxy-. 6-methyl adenine, TMS. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 1-Adamantanecarboxamide, N-(3-nitrophenyl)-. 5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID. 2-Methyl-5-nitro-2H-indazole.

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

Sources

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