- InChI
- InChI=1S/C7H8ClN3S2/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4-
- InChI Key
- APCFEGJUKJTYCB-WMZJFQQLSA-N
- Formula
- C7H8ClN3S2
- SMILES
- CC(=NNC(N)=S)c1ccc(Cl)s1
- Molecular Weight1
- 233.74
- CAS
- 79155-44-5
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6319 | Relay (1.0) Calculated Property | |
| ΔfG° | 291.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 181.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.959 | Crippen Calculated Property | |
| McVol | 156.310 | ml/mol | McGowan Calculated Property |
| Pc | 4260.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 592.73 | K | Relay (1.0) Calculated Property |
| Tc | 892.57 | K | Relay (1.0) Calculated Property |
| Tfus | 467.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-2-thienyl methyl ketone thiosemicarbazone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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