2-Ethynyl-5-methylthiophene - CAS 81294-10-2
Catalog: |
BB054696 |
Product Name: |
2-Ethynyl-5-methylthiophene |
CAS: |
81294-10-2 |
Synonyms: |
Thiophene, 2-ethynyl-5-methyl- |
IUPAC Name: | 2-ethynyl-5-methylthiophene |
Molecular Weight: | 122.19 |
Molecular Formula: | C7H6S |
Canonical SMILES: | CC1=CC=C(S1)C#C |
InChI: | InChI=1S/C7H6S/c1-3-7-5-4-6(2)8-7/h1,4-5H,2H3 |
InChI Key: | ZDCWYRXEXHPFGS-UHFFFAOYSA-N |
Boiling Point: | 181.5±28.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.01902136 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.01902136 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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