Chemical Properties of 1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol

1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol

InChI
InChI=1S/C8H14S3/c1-6(9)5-8-10-4-3-7(2)11-8/h3-4,6-9H,5H2,1-2H3
InChI Key
KIZYPBJKLBKTGJ-UHFFFAOYSA-N
Formula
C8H14S3
SMILES
CC(S)CC1SC=CC(C)S1
Molecular Weight1
206.39
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Physical Properties

Property Value Unit Source
ω 0.3128 Relay (1.0) Calculated Property
ΔfG° 169.85 kJ/mol Joback Calculated Property
ΔfH°gas -61.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.44 kJ/mol Joback Calculated Property
ΔvapH° 72.94 kJ/mol Relay (1.0) Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -2.65 Relay (1.0) Calculated Property
logPoct/wat 3.403 Crippen Calculated Property
McVol 157.470 ml/mol McGowan Calculated Property
Pc 3388.08 kPa Joback Calculated Property
Inp 1530.00 NIST
Tboil 538.30 K Relay (1.0) Calculated Property
Tc 736.61 K Relay (1.0) Calculated Property
Tfus 296.74 K Relay (1.0) Calculated Property
Vc 0.513 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [346.42; 432.69] J/mol×K [554.56; 816.80] Show Hide
Cp,gas 346.42 J/mol×K 554.56 Joback Calculated Property
Cp,gas 363.71 J/mol×K 598.27 Joback Calculated Property
Cp,gas 379.78 J/mol×K 641.97 Joback Calculated Property
Cp,gas 394.67 J/mol×K 685.68 Joback Calculated Property
Cp,gas 408.42 J/mol×K 729.39 Joback Calculated Property
Cp,gas 421.08 J/mol×K 773.09 Joback Calculated Property
Cp,gas 432.69 J/mol×K 816.80 Joback Calculated Property

Similar Compounds

[2H5]trans-Zeatin riboside, permethylated. cis-Zeatin riboside, permethylated. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Pimozide. Yohimbine. Zinc octaethylporphyrin chloride. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. N-Desmethylmirtazapine. Ibogaine. norbormide. Ceftazidime. [2H6]Isopentenyladenine nucleotide, permethylated.

Find more compounds similar to 1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol.

Sources

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