- InChI
- InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
- InChI Key
- BXDMTLVCACMNJO-UHFFFAOYSA-N
- Formula
- C7H7N3S
- SMILES
- Nc1ccc2[nH]c(S)nc2c1
- Molecular Weight1
- 165.22
- CAS
- 2818-66-8
- Other Names
-
- 5-amino-1,3-dihydro-2H-benzimidazole-2-thione
- 5-amino-1,3-dihydro-2H-benzo[d]imidazole-2-thione
- 5-amino-2-mercaptobenzimidazole
- 5-aminobenzimidazole-2-thiol
- ω : Acentric Factor.
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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 | 0.5554 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 175.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.952 | Crippen Calculated Property | |
| McVol | 116.860 | ml/mol | McGowan Calculated Property |
| Pc | 5743.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 624.93 | K | Relay (1.0) Calculated Property |
| Tc | 957.50 | K | Relay (1.0) Calculated Property |
| Tfus | 585.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 172.00 | J/mol×K | 298.15 | Thermochemistry of R-SH group in gaseous phase: Experimental and theoretical studies of three sulfur imidazole derivatives |
Similar Compounds
Find more compounds similar to 5-Amino-2-benzimidazolethiol.
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
- Thermochemistry of R-SH group in gaseous phase: Experimental and theoretical studies of three sulfur imidazole derivatives
- McGowan Method
- NIST Webbook
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