1-(5-Chlorothiophen-2-yl)butan-1-one
Basic information
- CAS
32427-77-3- Standard SMILES
CCCC(=O)c1ccc(Cl)s1- InChIKey
BIDANQRTCBSNEM-UHFFFAOYSA-N- Molecular formula
- C8H9ClOS
- Average molar mass
- 188.67 g/mol
- Monoisotopic mass
- 188.0062638
Names & identifiers
- Preferred name
- 1-(5-Chlorothiophen-2-yl)butan-1-one
- IUPAC
- 1-(5-chlorothiophen-2-yl)butan-1-one
- English name
- 1-(5-Chlorothien-2-yl)butan-1-one
- Molecular formula
- C8H9ClOS
- Molecular weight
- 188.67
Names & synonyms
1-(5-chlorothiophen-2-yl)butan-1-one32427-77-31-(5-chlorothien-2-yl)butan-1-one1-(5-chloro-2-thienyl)butan-1-oneMFCD019234861-Butanone, 1-(5-chloro-2-thienyl)-1-(5-chloro-2-thienyl)-1-butanoneSCHEMBL1984819DTXSID60356757ALBB-003001BBL016564STK424540
Show more names
1-(5-chloro-2-thienyl)butan-1-one(SALTDATA: FREE)
AKOS003271222VS-05370DB-032393CS-0314912ST50928197L10051AK-968/15363362F210056
Database identifiers
- CAS
32427-77-3- PubChem CID
- 831633
- DTXSID
DTXSID60356757
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 149
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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