Chemical Properties of Mesurol sulfoxide (CAS 2635-10-1)

InChI

InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)

InChI Key

FNCMBMZOZQAWJA-UHFFFAOYSA-N

Formula

C11H15NO3S

SMILES

CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1

Molecular Weight¹

241.31

CAS

2635-10-1

Other Names

• Phenol, 3,5-dimethyl-4-(methylsulfinyl)-, methylcarbamate
• Carbamic acid, methyl-, 4-(methylsulfinyl)-3,5-xylyl ester
• Bay 37344 sulfoxide
• BAY 41791
• 4-(Methylsulfinyl)-3,5-xylyl methylcarbamate
• BAYER 41791
• Carbamic acid, methyl-, 3,5-dimethyl-4-(methylsulfinyl)phenyl ester
• 3,5-Dimethyl-4-(methylsulfinyl)phenyl methylcarbamate
• ENT 25824
• Methiocarb sulfoxide
• Phenol, 3,5-dimethyl-4-(methylsulfinyl)-, (N-methylcarbamate)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.69; 527.17]	J/mol×K	[659.57; 873.66]
Cp,gas	458.69	J/mol×K	659.57	Joback Calculated Property
Cp,gas	472.35	J/mol×K	695.25	Joback Calculated Property
Cp,gas	485.12	J/mol×K	730.93	Joback Calculated Property
Cp,gas	497.00	J/mol×K	766.61	Joback Calculated Property
Cp,gas	507.97	J/mol×K	802.29	Joback Calculated Property
Cp,gas	518.03	J/mol×K	837.97	Joback Calculated Property
Cp,gas	527.17	J/mol×K	873.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mesurol sulfoxide.

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

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.
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