- InChI
- InChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
- InChI Key
- OCKJFOHZLXIAAT-UHFFFAOYSA-N
- Formula
- C8H8N2S
- SMILES
- CSc1nc2ccccc2[nH]1
- Molecular Weight1
- 164.23
- CAS
- 7152-24-1
- Other Names
-
- Benzimidazole, 2-(methylthio)-
- S-Methyl-2-mercaptobenzimidazole
- 2-(Methylmercapto)benzimidazole
- 2-(Methylthio)benzimidazole
- 2-Methylsulfanyl-1H-benzoimidazole
- 2-(Methylsulfanyl)-1H-benzimidazole
- NSC 21699
- 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 | 0.4047 | Relay (1.0) Calculated Property | |
| ΔfG° | 276.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 170.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 120.970 | ml/mol | McGowan Calculated Property |
| Pc | 5123.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 580.07 | K | Relay (1.0) Calculated Property |
| Tc | 847.34 | K | Relay (1.0) Calculated Property |
| Tfus | 433.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Benzimidazole, 2-(methylthio)-.
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
- McGowan Method
- NIST Webbook
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