![As-triazino[5,6-b]indole-3-thiol, 5-methyl-](/cid/77-093-4/As-triazino-5-6-b-indole-3-thiol-5-methyl.png "As-triazino[5,6-b]indole-3-thiol, 5-methyl-")
- InChI
- InChI=1S/C10H8N4S/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15)
- InChI Key
- RZYGCPYYIBGBCX-UHFFFAOYSA-N
- Formula
- C10H8N4S
- SMILES
- Cn1c2ccccc2c2nnc(S)nc21
- Molecular Weight1
- 216.26
- CAS
- 4046-70-2
- 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 | 0.5697 | Relay (1.0) Calculated Property | |
| ΔfG° | 431.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 401.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.805 | Crippen Calculated Property | |
| McVol | 149.650 | ml/mol | McGowan Calculated Property |
| Pc | 4616.73 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 651.11 | K | Relay (1.0) Calculated Property |
| Tc | 989.62 | K | Relay (1.0) Calculated Property |
| Tfus | 535.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-.](data:image/png;base64,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)
Find more compounds similar to As-triazino[5,6-b]indole-3-thiol, 5-methyl-.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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