- InChI
- InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
- InChI Key
- DEDOPGXGGQYYMW-UHFFFAOYSA-N
- Formula
- C9H17NOS
- SMILES
- CCSC(=O)N1CCCCCC1
- Molecular Weight1
- 187.30
- CAS
- 2212-67-1
- Other Names
-
- 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
- Ethyl 1-hexamethyleneiminecarbothiolate
- Felan
- Hydram
- Jalan
- Molmate
- Ordram
- R-4572
- S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat
- S-Ethyl 1-hexamethyleneiminothiocarbamate
- S-Ethyl Hexahydroazepine-1-carbothioate
- S-Ethyl N,N-hexamethylenethiocarbamate
- S-Ethyl N,N-hexamethylenothiocarbamate
- S-Ethyl azepane-1-carbothioate
- S-Ethyl hexahydro-1H-azepine-1-carbothioate
- S-Ethyl-N-hexamethylenethiocarbamate
- Stauffer R-4,572
- Yalan
- Yulan
- 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 | -2.37 | Aq. Sol... | |
| logPoct/wat | 2.736 | Crippen Calculated Property | |
| McVol | 154.710 | ml/mol | McGowan Calculated Property |
| Inp | [1533.00; 1551.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1547.00 | NIST |
Similar Compounds
Find more compounds similar to Molinate.
Sources
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