2-Ethyl-4-methylthiophene
Basic information
- CAS
66577-04-6- Standard SMILES
CCc1cc(C)cs1- InChIKey
NZOYEHPXDWJOCD-UHFFFAOYSA-N- Molecular formula
- C7H10S
- Average molar mass
- 126.22 g/mol
- Monoisotopic mass
- 126.05032149
Names & identifiers
- Preferred name
- 2-Ethyl-4-methylthiophene
- IUPAC
- 2-ethyl-4-methylthiophene
- English name
- 2-ethyl-4-methylthiophene
- Molecular formula
- C7H10S
- Molecular weight
- 126.22
Names & synonyms
2-ethyl-4-methylthiophene66577-04-6Thiophene, 2-ethyl-4-methylSCHEMBL130846SCHEMBL132217SCHEMBL132218SCHEMBL8939106SCHEMBL10474077NZOYEHPXDWJOCD-UHFFFAOYSA-NDTXSID501350542EN300-7111926Thiophene, 2-ethyl-4-methyl-
Database identifiers
- CAS
66577-04-6- PubChem CID
- 528250
- DTXSID
DTXSID501350542
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Physicochemical properties
- Boiling point
- 160 · 160-161 °C
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.3 · 1.3×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 3.348 · 3.348 (est)
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Compound notes
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