- InChI
- InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3
- InChI Key
- CBYWMRHUUVRIAF-UHFFFAOYSA-N
- Formula
- C16H21NS2
- SMILES
- CCN(CC)C(C)C=C(c1cccs1)c1cccs1
- Molecular Weight1
- 291.48
- CAS
- 86-14-6
- Other Names
-
- 3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-
- Allylamine, N,N-diethyl-1-methyl-3,3-di-2-thienyl-
- Allylamine, N,N-diethyl-3,3-di-2-thienyl-1-methyl-
- Diethylthiambutene
- 191C49
- Diethibutin
- 3-Diethylamino-1,1-bis(2-thienyl)-1-butene
- 3-Diethylamino-1,1-dithienylbut-1-ene
- 3-Diethylamino-1,1-di(2'-thienyl)-1-butene
- 3-Diethylamino-1,1-di(2'-thienyl)but-1-ene
- N,N-Diethyl-1-methyl-3,3-di-2-thienylallylamine
- NIH-4185
- Themalon
- 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 | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.972 | Crippen Calculated Property | |
| McVol | 235.760 | ml/mol | McGowan Calculated Property |
| Inp | 2008.00 | NIST |
Similar Compounds
Find more compounds similar to Thiambutene.
Sources
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