Chemical Properties of (Z)-1,2-Bis(benzylthio)-ethylene (CAS 16906-37-9)

(Z)-1,2-Bis(benzylthio)-ethylene

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InChI
InChI=1S/C16H16S2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-
InChI Key
RZVCNFNSLCXUMM-QXMHVHEDSA-N
Formula
C16H16S2
SMILES
C(=CSCc1ccccc1)SCc1ccccc1
Molecular Weight1
272.43
CAS
16906-37-9
Sources

Physical Properties

Property Value Unit Source
Δcsolid -9937.00 ± 1.80 kJ/mol NIST
Δf 455.12 kJ/mol Joback Calculated Property
Δfgas 300.45 kJ/mol Joback Calculated Property
Δfsolid 149.60 kJ/mol NIST
Δfus 33.74 kJ/mol Joback Calculated Property
Δvap 69.35 kJ/mol Joback Calculated Property
logPoct/wat 5.32 Crippen Calculated Property
Pc 2485.07 kPa Joback Calculated Property
Tboil 760.56 K Joback Calculated Property
Tc 1033.56 K Joback Calculated Property
Tfus 386.64 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.22 J/mol×K 760.56 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

trans-1,2-Bis(benzylthio)-ethylene. Benzyl methyl sulfide. Thiocyanic acid benzyl ester. Benzene, [(ethylthio)methyl]-. Benzene, 1,4-bis(methylthiomethyl)-. Benzene, 1,1'-[thiobis(methylene)]bis-. Benzene, [(methylsulfinyl)methyl]-. isopropyl benzyl sulfide. 2-Chloroethyl benzyl sulfide. Benzenemethanethiol. S-benzylthioacetate. Benzenecarbothioic acid, s-methyl ester. Benzene, [(methylsulfonyl)methyl]-. Benzene, 1,1'-[sulfinylbis(methylene)]bis-. 1-(Benzylthio)acetone.

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