- InChI
- InChI=1S/C9H10N2S/c12-9(11-6-7-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
- InChI Key
- IMRLVMFRZGEAEL-UHFFFAOYSA-N
- Formula
- C9H10N2S
- SMILES
- S=C(Nc1ccccc1)N1CC1
- Molecular Weight1
- 178.25
- CAS
- 19116-37-1
- 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 | 0.5105 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 253.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.699 | Crippen Calculated Property | |
| McVol | 135.060 | ml/mol | McGowan Calculated Property |
| Pc | 5079.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 574.30 | K | Relay (1.0) Calculated Property |
| Tc | 879.59 | K | Relay (1.0) Calculated Property |
| Tfus | 396.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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)
Find more compounds similar to N-phenyl-1-aziridinecarbothioamide.
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