Chemical Properties of 2-Methyl-2-p-toluenesulfonylamino-1,3-propanedithiol diacetate (CAS 10405-54-6)

2-Methyl-2-p-toluenesulfonylamino-1,3-propanedithiol diacetate

InChI
InChI=1S/C15H21NO4S3/c1-11-5-7-14(8-6-11)23(19,20)16-15(4,9-21-12(2)17)10-22-13(3)18/h5-8,16H,9-10H2,1-4H3
InChI Key
UTPPLRNAHYCAGV-UHFFFAOYSA-N
Formula
C15H21NO4S3
SMILES
CC(=O)SCC(C)(CSC(C)=O)NS(=O)(=O)c1ccc(C)cc1
Molecular Weight1
375.53
CAS
10405-54-6
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Physical Properties

Property Value Unit Source
ω 0.7245 Relay (1.0) Calculated Property
ΔfG° -389.71 kJ/mol Joback Calculated Property
ΔfH°gas -629.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.78 kJ/mol Joback Calculated Property
ΔvapH° 113.45 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -3.17 Relay (1.0) Calculated Property
logPoct/wat 2.591 Crippen Calculated Property
McVol 272.360 ml/mol McGowan Calculated Property
Pc 2512.55 kPa Joback Calculated Property
Tboil 674.12 K Relay (1.0) Calculated Property
Tc 917.63 K Relay (1.0) Calculated Property
Tfus 372.21 K Relay (1.0) Calculated Property
Vc 0.894 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [788.73; 832.79] J/mol×K [914.28; 1151.22] Show Hide
Cp,gas 788.73 J/mol×K 914.28 Joback Calculated Property
Cp,gas 799.58 J/mol×K 953.77 Joback Calculated Property
Cp,gas 808.97 J/mol×K 993.26 Joback Calculated Property
Cp,gas 816.95 J/mol×K 1032.75 Joback Calculated Property
Cp,gas 823.55 J/mol×K 1072.24 Joback Calculated Property
Cp,gas 828.81 J/mol×K 1111.73 Joback Calculated Property
Cp,gas 832.79 J/mol×K 1151.22 Joback Calculated Property

Similar Compounds

N-1-[1,1-bis(acetylmercaptomethyl)propyl]-p-toluenesulfonamide. 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate. 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol acetate p-toluenesulfonate. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide. Thymidine, 3'-O-TMS, 5'-O-TBDMS. Thymidine, 3',5'-bis(O-TBDMSi). Thymidine, 3'-O-TFA, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-TMS. 5'-O-(tert-butyldimethylsilyl)-thymidine. Epibaptifoline. Oxymorphone, bis(trimethylsilyl) ether. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3',5'-bis(O-TMTBSi).

Find more compounds similar to 2-Methyl-2-p-toluenesulfonylamino-1,3-propanedithiol diacetate.

Sources

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