Basic information
- CAS
30984-27-1- Standard SMILES
CC(C)C(=O)CC(=O)c1cccs1- InChIKey
XRTHXGCCCJCFGT-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- 4-Methyl-1-(2-thienyl)-1,3-pentanedione
- IUPAC
- 4-methyl-1-thiophen-2-ylpentane-1,3-dione
Names & synonyms
30984-27-14-Methyl-1-(2-thienyl)-1,3-pentanedioneDTXSID60292121RefChem:294083DTXCID50243263XRTHXGCCCJCFGT-UHFFFAOYSA-N4-methyl-1-(thiophen-2-yl)pentane-1,3-dioneNSC80390NSC-80390AKOS012623921EN300-1125071
Database identifiers
- CAS
30984-27-1- PubChem CID
- 255136
- DTXSID
DTXSID60292121- Nikkaji
- J1.407.781B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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