| CAS Number | 1057670-09-3 |
| Catalog Number | AG01BH0C |
| Chemical Name | 5-Ethynyl-2,3-dimethylthiophene |
| IUPAC Name | 5-ethynyl-2,3-dimethylthiophene |
| InChI | InChI=1S/C8H8S/c1-4-8-5-6(2)7(3)9-8/h1,5H,2-3H3 |
| InChI Key | OXWCQTQEXFTXDS-UHFFFAOYSA-N |
| MDL Number | MFCD08703552 |
| Molecular Formula | C8H8S |
| Molecular Weight | 136.2141 |
| SMILES | CC1=C(C)SC(C#C)=C1 |
| Synonyms | 5-ETHYNYL-2,3-DIMETHYLTHIOPHENE,
1057670-09-3,
5-ethynyl-2,3-dimethyl-thiophene,
ZINC86014441,
AKOS006237627,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.212g/mol |
| Monoisotopic Mass | 136.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number