| CAS Number | 81294-11-3 |
| Catalog Number | AG008MP7(AGN-PC-00K5XX) |
| Chemical Name | 2-ethynyl-3-methyl-thiophene |
| IUPAC Name | 2-ethynyl-3-methylthiophene |
| InChI | InChI=1S/C7H6S/c1-3-7-6(2)4-5-8-7/h1,4-5H,2H3 |
| InChI Key | OXECOAGMUUJLPS-UHFFFAOYSA-N |
| MDL Number | MFCD08703515 |
| Molecular Formula | C7H6S |
| Molecular Weight | 122.1875 |
| SMILES | CC1=C(C#C)SC=C1 |
| Synonyms | 2-Ethynyl-3-methylthiophene,
81294-11-3,
2-ETHYNYL-3-METHYL-THIOPHENE,
SCHEMBL3346930,
CTK5E8684,
Thiophene, 2-ethynyl-3-methyl-,
DTXSID80513466,
ZINC86014421,
AKOS006240693,
NE33084,
AJ-127889,
F2147-2802,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.185g/mol |
| Monoisotopic Mass | 122.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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