1-(5-Propylthiophen-2-yl)ethanone
Basic information
- CAS
832737-24-3- Standard SMILES
CCCc1ccc(C(C)=O)s1- InChIKey
PLKIJSVHAPBUMA-UHFFFAOYSA-N- Molecular formula
- C9H12OS
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.06088618
Names & identifiers
- Preferred name
- 1-(5-Propylthiophen-2-yl)ethanone
- IUPAC
- 1-(5-propylthiophen-2-yl)ethanone
- English name
- 1-(5-propylthien-2-yl)ethanone
- Molecular formula
- C9H12OS
- Molecular weight
- 168.26
Names & synonyms
832737-24-31-(5-propylthiophen-2-yl)ethanone1-(5-Propyl-thiophen-2-yl)-ethanone1-(5-propylthiophen-2-yl)ethan-1-one2-acetyl-5-propylthiopheneMFCD04967420SCHEMBL31996221-(5-Propyl-2-thienyl)ethanone1-(5-Propylthien-2-yl)ethanoneDTXSID001306752SBB021427AKOS000306181
Show more names
Ethanone, 1-(5-propyl-2-thienyl)-
CS-0297256ST45091168EN300-229102H78652
Database identifiers
- CAS
832737-24-3- PubChem CID
- 7017249
- DTXSID
DTXSID001306752
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 125 · 125-126 °C(Press: 11 Torr)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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