1,3-Di(thiophen-2-yl)propane-1,3-dione
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Basic information
- CAS
1138-14-3- Standard SMILES
O=C(CC(=O)c1cccs1)c1cccs1- InChIKey
RYEKDXOACFEXKG-UHFFFAOYSA-N- Molecular formula
- C11H8O2S2
- Average molar mass
- 236.3 g/mol
- Monoisotopic mass
- 235.99657184
Names & identifiers
- Preferred name
- 1,3-Di(thiophen-2-yl)propane-1,3-dione
- IUPAC
- 1,3-dithiophen-2-ylpropane-1,3-dione
- English name
- 1,3-Propanedione,1,3-di-2-thienyl-
- Molecular formula
- C11H8O2S2
- Molecular weight
- 236.31002
Names & synonyms
1,3-di(thiophen-2-yl)propane-1,3-dione1138-14-3DTXSID10292131RefChem:218257DTXCID002432731,3-Propanedione,1,3-di-2-thienyl-1,3-dithiophen-2-ylpropane-1,3-dioneMFCD007972231,3-Propanedione, 1,3-di-2-thienyl-1,3-bis(thiophen-2-yl)propane-1,3-dioneC11H8O2S2NSC80415
Show more names
1,3-bis(2-thienyl)propane-1,3-dioneSCHEMBL711360RYEKDXOACFEXKG-UHFFFAOYSA-NNSC-80415AKOS0376485341,3-di(2-thienyl)propane-1,3-dione1,3-di-(2-thienyl)-1,3-propanedioneBS-14470
Database identifiers
- CAS
1138-14-3- PubChem CID
- 255158
- DTXSID
DTXSID10292131- Nikkaji
- J1.116.130H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Appearance
- Light yellow to yellow Solid
- 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
Related reactions
3 records
Compound notes
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