Chemical Properties of 1-(Benzylthio)acetone (CAS 10230-69-0)

1-(Benzylthio)acetone

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InChI
InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key
OIEDQMIEPJIRFT-UHFFFAOYSA-N
Formula
C10H12OS
SMILES
CC(=O)CSCc1ccccc1
Molecular Weight1
180.27
CAS
10230-69-0
Other Names
  • (Benzylthio)acetone
  • 1-(Benzylthio)-2-propanone
  • 2-Propanone, 1-[(phenylmethyl)thio]-
  • «alpha»-(Benzylthio)acetone
Sources

Physical Properties

Property Value Unit Source
Δf 49.93 kJ/mol Joback Calculated Property
Δfgas -83.91 kJ/mol Joback Calculated Property
Δfus 21.43 kJ/mol Joback Calculated Property
Δvap 53.69 kJ/mol Joback Calculated Property
logPoct/wat 2.51 Crippen Calculated Property
Pc 3202.78 kPa Joback Calculated Property
Tboil 577.53 K Joback Calculated Property
Tc 812.37 K Joback Calculated Property
Tfus 313.21 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 327.08 J/mol×K 577.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 5
-CH2- 2
=C< (ring) 1
-S- 1
-CH3 1

Similar Compounds

Benzene, [(ethylthio)methyl]-. isopropyl benzyl sulfide. 2-Chloroethyl benzyl sulfide. S-benzylthioacetate. Z-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. Benzyl methyl sulfide. 1,4-Benzenedimethanethiol, s-acetyl-. 1,4-Benzenedimethanethiol, s,s'-diacetyl-. S-Butyl benzenecarbothioate. Thiocyanic acid benzyl ester. Benzene, 1,1'-[thiobis(methylene)]bis-. 1,3-Benzenedimethanethiol, s,s'-diacetyl-. 1,3-Benzenedimethanethiol, s-acetyl-. Benzene, 1,4-bis(methylthiomethyl)-.

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