- InChI
- InChI=1S/C20H31N3OS/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17+
- InChI Key
- MOQTVGQHEGMMDS-OQKWZONESA-N
- Formula
- C20H31N3OS
- SMILES
-
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=
NNC(N)=S)CCC12 - Molecular Weight1
- 361.55
- CAS
- 65628-35-5
- 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 | 0.7764 | Relay (1.0) Calculated Property | |
| ΔfG° | 346.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -141.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 156.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.499 | Crippen Calculated Property | |
| McVol | 288.480 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Tboil | 692.59 | K | Relay (1.0) Calculated Property |
| Tc | 1041.32 | K | Relay (1.0) Calculated Property |
| Tfus | 488.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 17-Thiosemicarbazonoandrost-5-en-3beta-ol.
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
- Joback Method
- McGowan Method
- NIST Webbook
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