Chemical Properties of Benzaldehyde, 4-(methylthio)- (CAS 3446-89-7)

Benzaldehyde, 4-(methylthio)-

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InChI
InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key
QRVYABWJVXXOTN-UHFFFAOYSA-N
Formula
C8H8OS
SMILES
CSc1ccc(C=O)cc1
Molecular Weight1
152.21
CAS
3446-89-7
Other Names
  • 4-(methylthio)benzaldehyde
  • p-(Methylthio)benzaldehyde
  • p-Methylmercaptobenzaldehyde
Sources

Physical Properties

Property Value Unit Source
Δf 52.86 kJ/mol Joback Calculated Property
Δfgas -27.10 kJ/mol Joback Calculated Property
Δfus 16.55 kJ/mol Joback Calculated Property
Δvap 49.88 kJ/mol Joback Calculated Property
logPoct/wat 2.22 Crippen Calculated Property
Pc 4010.84 kPa Joback Calculated Property
Tboil 361.20 K NIST
Tc 771.23 K Joback Calculated Property
Tfus 295.26 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 238.38 J/mol×K 531.54 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, 1-methyl-4-(methylthio)-. 4-CH3S-C6H4-COCH3. 4-(Methylthio)benzoic acid. Benzene, 1-(ethylthio)-4-methyl-. p-(Methylthio)benzyl alcohol. Benzene, 1-methyl-4-[(1-methylethyl)thio]-. 4-CH3S-C6H4-CCH. 4-Mercaptobenzoic acid, S-methyl-, methyl ester. Benzene, 1-[(1,1-dimethylethyl)thio]-4-methyl-. Benzoic acid, 4-(acetylthio)-. Methyl 4-methylphenylsulfoxide. Ethanethioic acid, s-(4-methylphenyl) ester. Benzoic acid, 4-(methylthio)-, ethyl ester. 4-Isopropylbenzenethiol, S-methyl-. Benzoic acid, 4-mercapto-.

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