Basic information
- CAS
886-78-2- Standard SMILES
O=C(C=Cc1cccs1)C=Cc1cccs1- InChIKey
IWLDEULFZPGROA-UHFFFAOYSA-N- Molecular formula
- C13H10OS2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.01730694
Names & identifiers
- Preferred name
- 1,5-Bis(2-thienyl)-1,4-pentadien-3-one
- IUPAC
- 1,5-dithiophen-2-ylpenta-1,4-dien-3-one
- English name
- 1,5-Bis-(2-thienyl)-1,4-pentadien-3-one
- Molecular formula
- C13H10OS2
- Molecular weight
- 246.35
Names & synonyms
886-78-21,5-Bis(2-thienyl)-1,4-pentadien-3-oneDTXSID70353196RefChem:221184DTXCID203042591,5-bis(thiophen-2-yl)penta-1,4-dien-3-one1,5-di(thiophen-2-yl)penta-1,4-dien-3-one1,5-dithiophen-2-ylpenta-1,4-dien-3-onedithenylideneacetoneBionet2_001342SCHEMBL5598744IWLDEULFZPGROA-UHFFFAOYSA-N
Show more names
1,5-DI(2-THIENYL)PENTA-1,4-DIEN-3-ONE1,4-Pentadien-3-one, 1,5-di-2-thienyl-1,5-Bis-(2-thienyl)-1,4-pentadien-3-one1,5-Bis-(2-thienyl)-1,4-pentadiene-3-one(1E,4E)-1,5-DI(2-THIENYL)-1,4-PENTADIEN-3-ONE(1E,4E)-1,5-di(thiophen-2-yl)penta-1,4-dien-3-one
AKOS030239536
Database identifiers
- CAS
886-78-2- PubChem CID
- 737201
- DTXSID
DTXSID70353196
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 113 · 113-114 °C
- Boiling point
- 419.4 · 419.4±40.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
2 records
Compound notes
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