| CAS Number | 1249302-29-1 |
| Catalog Number | AG01DSW3(AGN-PC-08XSDC) |
| Chemical Name | 1-(prop-2-yn-1-yl)-2-(thiophen-2-yl)-1H-imidazole |
| IUPAC Name | 1-prop-2-ynyl-2-thiophen-2-ylimidazole |
| InChI | InChI=1S/C10H8N2S/c1-2-6-12-7-5-11-10(12)9-4-3-8-13-9/h1,3-5,7-8H,6H2 |
| InChI Key | FIIAWRHGDCGLAY-UHFFFAOYSA-N |
| MDL Number | MFCD16128249 |
| Molecular Formula | C10H8N2S |
| Molecular Weight | 188.2489 |
| SMILES | C#CCN1C(C2SC=CC=2)=NC=C1 |
| Synonyms | 1-(PROP-2-YN-1-YL)-2-(THIOPHEN-2-YL)-1H-IMIDAZOLE,
1249302-29-1,
ZINC45048638,
AKOS011146106,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.248g/mol |
| Monoisotopic Mass | 188.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number