- InChI
- InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
- InChI Key
- KFFUEVDMVNIOHA-UHFFFAOYSA-N
- Formula
- C6H7NS
- SMILES
- Nc1cccc(S)c1
- Molecular Weight1
- 125.19
- CAS
- 22948-02-3
- Other Names
-
- Benzenethiol, 3-amino-
- 3-Aminothiophenol
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 198.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 130.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.27 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.558 | Crippen Calculated Property | |
| McVol | 97.970 | ml/mol | McGowan Calculated Property |
| Pc | 5430.51 | kPa | Joback Calculated Property |
| Tboil | 503.73 | K | Joback Calculated Property |
| Tc | 761.14 | K | Joback Calculated Property |
| Tfus | 316.04 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.97; 239.97] | J/mol×K | [503.73; 761.14] | 
|
| Cp,gas | 188.97 | J/mol×K | 503.73 | Joback Calculated Property |
| Cp,gas | 199.24 | J/mol×K | 546.63 | Joback Calculated Property |
| Cp,gas | 208.76 | J/mol×K | 589.53 | Joback Calculated Property |
| Cp,gas | 217.55 | J/mol×K | 632.44 | Joback Calculated Property |
| Cp,gas | 225.66 | J/mol×K | 675.34 | Joback Calculated Property |
| Cp,gas | 233.12 | J/mol×K | 718.24 | Joback Calculated Property |
| Cp,gas | 239.97 | J/mol×K | 761.14 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [458.00; 458.20] | K | [2.10; 2.10] |
|
| Tboilr | 458.20 | K | 2.10 | NIST |
| Tboilr | 458.00 ± 5.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 3-Aminobenzenethiol.
Sources
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