Chemical Properties of S-(2-([3-(phenylsulfanyl)propyl]amino)ethyl) hydrogen thiosulfate (CAS 20748-26-9)

S-(2-([3-(phenylsulfanyl)propyl]amino)ethyl) hydrogen thiosulfate

InChI
InChI=1S/C11H17NO3S3/c13-18(14,15)17-10-8-12-7-4-9-16-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,13,14,15)
InChI Key
TUJWDXKDMJKBBV-UHFFFAOYSA-N
Formula
C11H17NO3S3
SMILES
O=S(=O)(O)SCCNCCCSc1ccccc1
Molecular Weight1
307.45
CAS
20748-26-9
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Physical Properties

Property Value Unit Source
ω 0.8551 Relay (1.0) Calculated Property
ΔfG° -295.58 kJ/mol Joback Calculated Property
ΔfH°gas -458.24 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.11 kJ/mol Joback Calculated Property
ΔvapH° 138.02 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -2.01 Relay (1.0) Calculated Property
logPoct/wat 2.294 Crippen Calculated Property
McVol 218.730 ml/mol McGowan Calculated Property
Pc 3677.55 kPa Joback Calculated Property
Tboil 680.62 K Relay (1.0) Calculated Property
Tc 928.48 K Relay (1.0) Calculated Property
Tfus 394.71 K Relay (1.0) Calculated Property
Vc 0.736 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [598.55; 649.44] J/mol×K [805.45; 1020.01] Show Hide
Cp,gas 598.55 J/mol×K 805.45 Joback Calculated Property
Cp,gas 609.68 J/mol×K 841.21 Joback Calculated Property
Cp,gas 619.73 J/mol×K 876.97 Joback Calculated Property
Cp,gas 628.71 J/mol×K 912.73 Joback Calculated Property
Cp,gas 636.65 J/mol×K 948.49 Joback Calculated Property
Cp,gas 643.56 J/mol×K 984.25 Joback Calculated Property
Cp,gas 649.44 J/mol×K 1020.01 Joback Calculated Property

Similar Compounds

Bunolol. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). 11-Ketoestradiol (enol), TMS. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). Pregnan-2,3,20-triol, GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 2-Butanol, 1,2-diphenyl-4-(methylamino)-3-methyl-, propionate. Benzoylecgonine, tert-butyldimethylsilyl ester. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. D-Lysergic acid N,N-diethylamide. Lysergic acid N-(methylpropyl)amide. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Find more compounds similar to S-(2-([3-(phenylsulfanyl)propyl]amino)ethyl) hydrogen thiosulfate.

Sources

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