5-Ethynyl-2,3-dimethylthiophene - CAS 1057670-09-3
Catalog: |
BB054694 |
Product Name: |
5-Ethynyl-2,3-dimethylthiophene |
CAS: |
1057670-09-3 |
Synonyms: |
Thiophene, 5-ethynyl-2,3-dimethyl-; 5-Ethynyl-2,3-dimethyl-thiophene |
IUPAC Name: | 5-ethynyl-2,3-dimethylthiophene |
Molecular Weight: | 136.21 |
Molecular Formula: | C8H8S |
Canonical SMILES: | CC1=C(SC(=C1)C#C)C |
InChI: | InChI=1S/C8H8S/c1-4-8-5-6(2)7(3)9-8/h1,5H,2-3H3 |
InChI Key: | OXWCQTQEXFTXDS-UHFFFAOYSA-N |
Boiling Point: | 212.4±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.05±0.1 g/cm3 (Predicted) |
Complexity: | 142 |
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: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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