Chemical Properties of 3,7-Dimethyl-1-thiaindene sulfone (CAS 42346-86-1)

3,7-Dimethyl-1-thiaindene sulfone

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InChI
InChI=1S/C10H10O2S/c1-7-4-3-5-9-8(2)6-13(11,12)10(7)9/h3-6H,1-2H3
InChI Key
OITNEHOYSPWFRO-UHFFFAOYSA-N
Formula
C10H10O2S
SMILES
CC1=CS(=O)(=O)c2c1cccc2C
Molecular Weight1
194.25
CAS
42346-86-1
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5724.00 ± 92.00 kJ/mol NIST
Δf -246.54 kJ/mol Joback Calculated Property
Δfgas -346.65 kJ/mol Joback Calculated Property
Δfliquid 63.01 kJ/mol NIST
Δfus 23.72 kJ/mol Joback Calculated Property
Δvap 60.26 kJ/mol Joback Calculated Property
logPoct/wat 2.14 Crippen Calculated Property
Pc 4103.88 kPa Joback Calculated Property
Tboil 507.22 K Joback Calculated Property
Tc 719.07 K Joback Calculated Property
Tfus 376.99 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 297.18 J/mol×K 507.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzo[b]thiophene 1,1-dioxide, 3-methyl-. Benzo[b]thiophene, 1,1-dioxide. 2-Bromobenzothiophene sulfone. 2-Methylthianaphthene-1,1 dioxide. Codeinone, 14-hydroxy-. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Ergocristin. Tetracycline hydrochloride. Heptafluorobutyryl-codeine. 6-O,N-Diacetylnorcodeine. 3-O,6-O,N-Triacetylnormorphine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Morphine, diacetyl-, hydrochloride. Diacetylmorphine. Codeine-propionyl.

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