![S-(2-([3-(phenylsulfanyl)propyl]amino)ethyl) hydrogen thiosulfate](/cid/123-981-6/S-2-3-phenylsulfanyl-propyl-amino-ethyl-hydrogen-thiosulfate.png "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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -295.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen 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 | 805.45 | K | Joback Calculated Property |
| Tc | 1020.01 | K | Joback Calculated Property |
| Tfus | 460.99 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.55; 649.44] | J/mol×K | [805.45; 1020.01] | 
|
| 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
Find more compounds similar to S-(2-([3-(phenylsulfanyl)propyl]amino)ethyl) hydrogen thiosulfate.
Sources
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