Chemical Properties of C4H7NO2S (CAS 112740-61-1)

InChI

InChI=1S/C4H7NO2S/c1-3(6)4(5-7)8-2/h7H,1-2H3/b5-4-

InChI Key

LWKWIPSRFUFNQT-PLNGDYQASA-N

Formula

C4H7NO2S

SMILES

CSC(=NO)C(C)=O

Molecular Weight¹

133.17

CAS

112740-61-1

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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

Find more compounds similar to C4H7NO2S.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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