| CAS Number | 1271438-65-3 |
| Catalog Number | AG01DX82 |
| Chemical Name | 2-(2-Butyloctyl)Thiophene |
| IUPAC Name | 2-(2-butyloctyl)thiophene |
| InChI | InChI=1S/C16H28S/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16/h9,12-13,15H,3-8,10-11,14H2,1-2H3 |
| InChI Key | UWBYNTPTARLVDJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206184 |
| Molecular Formula | C16H28S |
| Molecular Weight | 252.4585 |
| SMILES | CCCCCCC(CCCC)CC1=CC=CS1 |
| Synonyms | 2-(2-butyloctyl)thiophene,
SCHEMBL159871,
UWBYNTPTARLVDJ-UHFFFAOYSA-N,
1271438-65-3,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.46g/mol |
| Monoisotopic Mass | 252.191g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
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Certificate of Analysis
Lot Number