Chemical Properties of Bis(phenylthio)methane (CAS 3561-67-9)

Bis(phenylthio)methane

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InChI
InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key
ZHUPZVIALZHGGP-UHFFFAOYSA-N
Formula
C13H12S2
SMILES
c1ccc(SCSc2ccccc2)cc1
Molecular Weight1
232.36
CAS
3561-67-9
Other Names
  • Benzene, 1,1'-[methylenebis(thio)]bis-
  • Bis(phenyithio)methane
  • Bis(thiophenoxy)methane
  • Formaldehyde diphenyl mercaptal
  • [methylenebis(thio)]bisbenzene
Sources

Physical Properties

Property Value Unit Source
Δf 349.64 kJ/mol Joback Calculated Property
Δfgas 245.15 kJ/mol Joback Calculated Property
Δfus 25.77 kJ/mol Joback Calculated Property
Δvap 62.72 kJ/mol Joback Calculated Property
logPoct/wat 4.529 Crippen Calculated Property
Pc 3191.93 kPa Joback Calculated Property
Tboil 687.76 K Joback Calculated Property
Tc 970.82 K Joback Calculated Property
Tfus 357.91 K Joback Calculated Property
Vc 0.655 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 428.79 J/mol×K 687.76 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-S- 2
-CH2- 1
=CH- (ring) 10

Similar Compounds

Benzene, (methylthio)-. 4-(Methylthio)thiophenol. 1,4-Benzenedithiol, s,s'-dimethyl-. Benzene, (ethenylthio)-. Benzene, (ethylthio)-. Thiocyanic acid, phenyl ester. (E) Phenyl-1-propenylsulfide. 1,3-Benzenedithiol, s,s'-dimethyl-. Allylphenyl sulfide. Phenyl propargyl sulfide. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Benzene, (propylthio)-. 2,2'-Spirobi[1,3-benzodithiole]. 4-Iodothioanisole.

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