5-Chloro-1-(2-thienyl)-1-pentanone
Basic information
- CAS
90416-36-7- Standard SMILES
O=C(CCCCCl)c1cccs1- InChIKey
MEJWQQQVERMVQS-UHFFFAOYSA-N- Molecular formula
- C9H11ClOS
- Average molar mass
- 202.7 g/mol
- Monoisotopic mass
- 202.0219138
Names & identifiers
- Preferred name
- 5-Chloro-1-(2-thienyl)-1-pentanone
- IUPAC
- 5-chloro-1-thiophen-2-ylpentan-1-one
Names & synonyms
90416-36-71-Pentanone, 5-chloro-1-(2-thienyl)-5-Chloro-1-(2-thienyl)-1-pentanone5-chloro-1-(thiophen-2-yl)pentan-1-one5-chloro-1-(2-thienyl)pentan-1-one5-chloro-1-thiophen-2-ylpentan-1-one2-(5-chloropentanoyl)thiopheneSCHEMBL4852587DTXSID30406733MEJWQQQVERMVQS-UHFFFAOYSA-NSBB013607STK784060
Show more names
AKOS005620202ST4125165
Database identifiers
- CAS
90416-36-7- PubChem CID
- 4912995
- DTXSID
DTXSID30406733
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
5 records
Compound notes
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