![Hydantoin, 5,5-bis[(benzylthio)methyl]-](/cid/17-631-2/Hydantoin-5-5-bis-benzylthio-methyl.png "Hydantoin, 5,5-bis[(benzylthio)methyl]-")
- InChI
- InChI=1S/C19H20N2O2S2/c22-17-19(21-18(23)20-17,13-24-11-15-7-3-1-4-8-15)14-25-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21,22,23)
- InChI Key
- JCDRJBAHSISSAL-UHFFFAOYSA-N
- Formula
- C19H20N2O2S2
- SMILES
-
O=C1NC(=O)C(CSCc2ccccc2)(CSCc2
ccccc2)N1 - Molecular Weight1
- 372.50
- CAS
- 32418-95-4
- 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° | 361.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 3.431 | Crippen Calculated Property | |
| McVol | 275.990 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Tboil | 1073.30 | K | Joback Calculated Property |
| Tc | 1371.81 | K | Joback Calculated Property |
| Tfus | 806.83 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.79; 985.17] | J/mol×K | [1073.30; 1371.81] | 
|
| Cp,gas | 893.79 | J/mol×K | 1073.30 | Joback Calculated Property |
| Cp,gas | 910.60 | J/mol×K | 1123.05 | Joback Calculated Property |
| Cp,gas | 926.53 | J/mol×K | 1172.80 | Joback Calculated Property |
| Cp,gas | 941.76 | J/mol×K | 1222.56 | Joback Calculated Property |
| Cp,gas | 956.48 | J/mol×K | 1272.31 | Joback Calculated Property |
| Cp,gas | 970.89 | J/mol×K | 1322.06 | Joback Calculated Property |
| Cp,gas | 985.17 | J/mol×K | 1371.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydantoin, 5,5-bis[(benzylthio)methyl]-.
Sources
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