Chemical Properties of Benzene, 1-bromo-2-(methylthio)- (CAS 19614-16-5)

Benzene, 1-bromo-2-(methylthio)-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key
ALAQDUSTXPEHMH-UHFFFAOYSA-N
Formula
C7H7BrS
SMILES
CSc1ccccc1Br
Molecular Weight1
203.10
CAS
19614-16-5
Other Names
  • 2-Bromothioanisole
  • Sulfide, o-bromophenyl methyl
  • o-Bromo(methylthio)benzene
  • o-Bromophenyl methyl sulfide
  • o-Bromothioanisole
Sources

Physical Properties

Property Value Unit Source
Δf 158.28 kJ/mol Joback Calculated Property
Δfgas 105.45 kJ/mol Joback Calculated Property
Δfus 16.95 kJ/mol Joback Calculated Property
Δvap 47.37 kJ/mol Joback Calculated Property
logPoct/wat 3.17 Crippen Calculated Property
Pc 4516.42 kPa Joback Calculated Property
Tboil 418.70 K NIST
Tboil 529.00 K NIST
Tboil 448.50 ± 3.50 K NIST
Tc 784.10 K Joback Calculated Property
Tfus 248.60 K NIST
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 214.93 J/mol×K 526.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Bromothiophenol. Benzene, 1-bromo-4-(methylthio)-. 3-Bromothiophenol. Benzene, (methylthio)-. Benzenethiol, 4-bromo-. Benzene, (ethenylthio)-. Thiocyanic acid, phenyl ester. Benzene, (ethylthio)-. 4-(Methylthio)thiophenol. 1,4-Benzenedithiol, s,s'-dimethyl-. (E) Phenyl-1-propenylsulfide. Allylphenyl sulfide. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Benzene, (propylthio)-.

Find more compounds similar to Benzene, 1-bromo-2-(methylthio)-.

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.