- InChI
- InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
- InChI Key
- FLFWJIBUZQARMD-UHFFFAOYSA-N
- Formula
- C7H5NOS
- SMILES
- S=c1[nH]c2ccccc2o1
- Molecular Weight1
- 151.19
- CAS
- 2382-96-9
- Other Names
-
- 2(3H)-Benzoxazolethione
- 2-Benzoxazolinethione
- 2-benzoxazolethiol
- 2-mercaptobenzoxazole
- Benzoxazole, 2-mercapto-
- Benzoxazolinethione
- benzoxazole-2-thiol
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 22.56 | kJ/mol | Combust... |
| IE | 8.14 | eV | NIST |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 2.008 | Crippen Calculated Property | |
| McVol | 102.770 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [22.60; 25.00] | kJ/mol | [468.30; 470.00] | 
|
| ΔfusH | 22.60 ± 0.90 | kJ/mol | 468.30 | NIST |
| ΔfusH | 25.00 | kJ/mol | 470.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Mercapto-1,3-benzoxazole.
Sources
- Crippen Method
- Crippen Method
- Combustion energies and formation enthalpies of 2-SH-benzazoles
- McGowan Method
- NIST Webbook
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