Basic information
- CAS
16587-46-5- Standard SMILES
CCCc1cc2cccc(CC)c2s1- InChIKey
RZRNLFMTGXFRLE-UHFFFAOYSA-N- Molecular formula
- C13H16S
- Average molar mass
- 204.33 g/mol
- Monoisotopic mass
- 204.09727168
Names & identifiers
- Preferred name
- 7-Ethyl-2-propyl-1-benzothiophene
- IUPAC
- 7-ethyl-2-propyl-1-benzothiophene
- English name
- 7-Ethyl-2-propylbenzo[b]thiophene
- Molecular formula
- C13H16S
- Molecular weight
- 204.33
Names & synonyms
7-Ethyl-2-propyl-1-benzothiophene16587-46-5DTXSID50344926RefChem:310747DTXCID402960017-Ethyl-2-propylbenzo[b]thiopheneBenzo[b]thiophene, 7-ethyl-2-propyl-RZRNLFMTGXFRLE-UHFFFAOYSA-N7-Ethyl-2-propyl-1-benzothiophene #
Database identifiers
- CAS
16587-46-5- PubChem CID
- 600404
- DTXSID
DTXSID50344926- Nikkaji
- J114.058B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 308.8 · 308.8±11.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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