5-Methyl-2-ethylthiophene - CAS 40323-88-4
Catalog: |
BB053739 |
Product Name: |
5-Methyl-2-ethylthiophene |
CAS: |
40323-88-4 |
Synonyms: |
Thiophene, 2-ethyl-5-methyl- |
IUPAC Name: | 2-ethyl-5-methylthiophene |
Molecular Weight: | 126.22 |
Molecular Formula: | C7H10S |
Canonical SMILES: | CCC1=CC=C(S1)C |
InChI: | InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3 |
InChI Key: | VOIVNYVBGCJFRW-UHFFFAOYSA-N |
Boiling Point: | 160.0±0.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.0±0.1 g/cm3 |
LogP: | 3.348 (est) |
Complexity: | 70.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.05032149 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.05032149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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