- InChI
- InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
- InChI Key
- NVHNGVXBCWYLFA-UHFFFAOYSA-N
- Formula
- C4H8N2S
- SMILES
- S=C1NCCCN1
- Molecular Weight1
- 116.19
- CAS
- 2055-46-1
- Other Names
-
- Cyclic propylene thiourea
- Hexahydropyrimidine-2-thione
- N,N'-Trimethylenethiourea
- Tetrahydro-2(1H)-pyrimidinethione
- Tetrahydropyrimidine-2-thione
- Thiourea, N,N'-1,3-propanediyl-
- 1,3-Propylenethiourea
- 1,4,5,6-Tetrahydro-2-pyrimidinethiol
- 2-Mercapto-1,4,5,6-tetrahydropyrimidine
- 2-Mercapto-3,4,5,6-tetrahydropyrimidine
- 2-Mercaptotetrahydropyrimidine
- 3,4,5,6-Tetrahydro-2-pyrimidinethiol
- Perhydropyrimidine-2-thione
- 3,4,5,6-Tetrahydro-2(1H)-pyrimidinethione
- NSC 21316
- 3,4,5,6-tetrahydropyrimidine-2-thiol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.3876 | Relay (1.0) Calculated Property | |
| ΔfG° | 281.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.146 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 6400.00 | kPa | Joback Calculated Property |
| Tboil | 557.21 | K | Relay (1.0) Calculated Property |
| Tc | 791.79 | K | Relay (1.0) Calculated Property |
| Tfus | 410.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.287 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.33; 221.38] | J/mol×K | [484.88; 738.51] | 
|
| Cp,gas | 165.33 | J/mol×K | 484.88 | Joback Calculated Property |
| Cp,gas | 176.34 | J/mol×K | 527.15 | Joback Calculated Property |
| Cp,gas | 186.63 | J/mol×K | 569.42 | Joback Calculated Property |
| Cp,gas | 196.26 | J/mol×K | 611.69 | Joback Calculated Property |
| Cp,gas | 205.24 | J/mol×K | 653.97 | Joback Calculated Property |
| Cp,gas | 213.60 | J/mol×K | 696.24 | Joback Calculated Property |
| Cp,gas | 221.38 | J/mol×K | 738.51 | Joback Calculated Property |
Similar Compounds
![Urea], 1,1'-trimethylenebis[3-methyl-3-nitroso-.](data:image/png;base64,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)
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