- InChI
- InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
- InChI Key
- AXFZADXWLMXITO-UHFFFAOYSA-N
- Formula
- C4H9NOS
- SMILES
- CC(O)=NCCS
- Molecular Weight1
- 119.19
- CAS
- 20939-05-3
- ΔfH°gas : Enthalpy of formation 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -167.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.31 | kJ/mol | Joback Calculated Property |
| log10WS | -0.55 | Crippen Calculated Property | |
| logPoct/wat | 0.893 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| I | [2200.00; 2200.00] |
|
|
| I | 2200.00 | NIST | |
| I | 2200.00 | NIST | |
| Tboil | 522.52 | K | Joback Calculated Property |
| Tc | 728.94 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetylcysteamine.
Sources
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