2-Methyl-5-propylthiophene
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Basic information
- CAS
33933-73-2- Standard SMILES
CCCc1ccc(C)s1- InChIKey
ZWLVQEKJYWHJRM-UHFFFAOYSA-N- Molecular formula
- C8H12S
- Average molar mass
- 140.25 g/mol
- Monoisotopic mass
- 140.06597156
Names & identifiers
- Preferred name
- 2-Methyl-5-propylthiophene
- IUPAC
- 2-methyl-5-propylthiophene
- English name
- 2-Methyl-5-propylthiophene
- Molecular weight
- 0
Names & synonyms
2-METHYL-5-PROPYLTHIOPHENEThiophene, 2-methyl-5-propyl-DTXSID30955519RefChem:263571DTXCID101383511ZWLVQEKJYWHJRM-UHFFFAOYSA-N33933-73-2SCHEMBL147077SCHEMBL3535370SCHEMBL9481855
Database identifiers
- CAS
33933-73-2- PubChem CID
- 36628
- DTXSID
DTXSID30955519- Nikkaji
- J110.545K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Melting point
- -56.9 °C · -56.9°C (estimate)
- Boiling point
- 181.79 °C · 181.79°C (estimate)
- Density
- 0.9967 · 0.9967 (estimate)
- refractive index
- 1.5154 · 1.5154 (estimate)
- LogP
- 3.542 · 3.542 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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