- InChI
- InChI=1S/C5H7NS/c1-4-3-6-7-5(4)2/h3H,1-2H3
- InChI Key
- SPRVGONRQZESPA-UHFFFAOYSA-N
- Formula
- C5H7NS
- SMILES
- Cc1cnsc1C
- Molecular Weight1
- 113.18
- CAS
- 27330-47-8
- Other Names
-
- 4,5-Dimethylisothiazole
- 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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.760 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Inp | [974.00; 988.00] |
|
|
| Inp | 974.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 988.00 | NIST | |
| I | [1400.00; 1423.00] |
|
|
| I | 1400.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1400.00 | NIST |
Similar Compounds
Find more compounds similar to Isothiazole, 4,5-dimethyl-.
Sources
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