- InChI
- InChI=1S/C5H9NS2/c7-4-2-1-3-6-5-8/h7H,1-4H2
- InChI Key
- NSHSQTFUNFUMRM-UHFFFAOYSA-N
- Formula
- C5H9NS2
- SMILES
- S=C=NCCCCS
- Molecular Weight1
- 147.26
- 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).
- Inp : Non-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 | 176.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.799 | Crippen Calculated Property | |
| McVol | 115.390 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Inp | [1290.00; 1290.00] |
|
|
| Inp | 1290.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Tboil | 522.61 | K | Joback Calculated Property |
| Tc | 763.54 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Mercaptobutyl isothiocyanate.
Sources
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