- InChI
- InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
- InChI Key
- LBBKWEDRPDGXPM-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- Cc1ccns1
- Molecular Weight1
- 99.15
- CAS
- 693-97-0
- Other Names
-
- 5-Methylisothiazole
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 9.65 | eV | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Inp | [820.00; 862.00] |
|
|
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 862.00 | NIST | |
| I | [1282.00; 1299.00] |
|
|
| I | 1282.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1299.00 | NIST | |
| Tboil | 418.20 | K | NIST |
Similar Compounds
Find more compounds similar to Isothiazole, 5-methyl-.
Sources
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