Chemical Properties of 4-(Methylthio)thiophenol (CAS 1122-97-0)

4-(Methylthio)thiophenol

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InChI
InChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChI Key
KYMOWQQIZINTJZ-UHFFFAOYSA-N
Formula
C7H8S2
SMILES
CSc1ccc(S)cc1
Molecular Weight1
156.27
CAS
1122-97-0
Other Names
  • 4-(Methylthio)-benzenethiol
Sources

Physical Properties

Property Value Unit Source
Δf 173.35 kJ/mol Joback Calculated Property
Δfgas 117.60 kJ/mol Joback Calculated Property
Δfus 15.71 kJ/mol Joback Calculated Property
Δvap 47.67 kJ/mol Joback Calculated Property
logPoct/wat 2.697 Crippen Calculated Property
Pc 4486.22 kPa Joback Calculated Property
Tboil 522.86 K Joback Calculated Property
Tc 788.46 K Joback Calculated Property
Tfus 278.45 K Joback Calculated Property
Vc 0.427 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 224.40 J/mol×K 522.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-S- 1
-CH3 1
=CH- (ring) 4
-SH 1

Similar Compounds

1,4-Benzenedithiol, s,s'-dimethyl-. Benzene, (methylthio)-. Benzene, (ethylthio)-. Benzene, (ethenylthio)-. Thiocyanic acid, phenyl ester. 1,3-Benzenedithiol, s,s'-dimethyl-. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Benzene, (propylthio)-. Phenyl propargyl sulfide. Allylphenyl sulfide. (E) Phenyl-1-propenylsulfide. Bis(phenylthio)methane. Benzene, 1-bromo-4-(methylthio)-. 4-Methylmercaptoaniline.

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