Basic information
- CAS
2309-48-0- Standard SMILES
O=C(C=Cc1cccs1)c1cccs1- InChIKey
WCAGHDMFZMUUPQ-UHFFFAOYSA-N- Molecular formula
- C11H8OS2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.00165722
Names & identifiers
- Preferred name
- 1,3-Di(thiophen-2-yl)prop-2-en-1-one
- IUPAC
- 1,3-dithiophen-2-ylprop-2-en-1-one
Names & synonyms
1,3-Di(thiophen-2-yl)prop-2-en-1-oneMLS002667710C11H8OS2SCHEMBL5514905CHEMBL1885222DTXSID401305156HMS3080K24CAA30948AKOS0302390321,3-bis(2-thienyl)prop-2-en-1-oneSMR001557470NS00048755
Database identifiers
- CAS
2309-48-0- PubChem CID
- 97893
- DTXSID
DTXSID401305156- ChEMBL
CHEMBL1885222
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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