- InChI
- InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3
- InChI Key
- KDWQYMVPYJGPHS-UHFFFAOYSA-N
- Formula
- C16H18ClNO2S
- SMILES
-
COc1ccsc1CN(C(=O)CCl)c1c(C)ccc
c1C - Molecular Weight1
- 323.84
- CAS
- 96491-05-3
- Other Names
-
- Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-[(3-methoxy-2-thienyl)methyl]-
- 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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 239.090 | ml/mol | McGowan Calculated Property |
| Inp | [2367.00; 2384.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Inp | 2367.00 | NIST |
Similar Compounds
Find more compounds similar to Thenylchlor.
Sources
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