2-Ethyl-5-ethynylthiophene - CAS 1057670-00-4
Catalog: |
BB054695 |
Product Name: |
2-Ethyl-5-ethynylthiophene |
CAS: |
1057670-00-4 |
Synonyms: |
Thiophene, 2-ethyl-5-ethynyl-; 2-Ethyl-5-ethynyl-thiophene |
IUPAC Name: | 2-ethyl-5-ethynylthiophene |
Molecular Weight: | 136.21 |
Molecular Formula: | C8H8S |
Canonical SMILES: | CCC1=CC=C(S1)C#C |
InChI: | InChI=1S/C8H8S/c1-3-7-5-6-8(4-2)9-7/h1,5-6H,4H2,2H3 |
InChI Key: | YGSZGTTVMFZIEZ-UHFFFAOYSA-N |
Boiling Point: | 196.3±28.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.04±0.1 g/cm3 (Predicted) |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.03467143 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.03467143 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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