Basic information
- CAS
893-01-6- Standard SMILES
O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1- InChIKey
KHXBULXCCPIELT-UHFFFAOYSA-N- Molecular formula
- C16H14OS2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.04860741
Names & identifiers
- Preferred name
- 2,6-Bis(thiophen-2-ylmethylidene)cyclohexan-1-one
- IUPAC
- 2,6-bis(thiophen-2-ylmethylidene)cyclohexan-1-one
- English name
- tenylidone
- Molecular formula
- C16H14OS2
- Molecular weight
- 286.41
Names & synonyms
2,6-bis(thiophen-2-ylmethylidene)cyclohexan-1-one2,6-bis[(thiophen-2-yl)methylidene]cyclohexan-1-oneMaybridge1_003345SCHEMBL2525056CHEMBL23545312,6-dithienylmethylene-cyclohexanoneNS00039320tenylidonetenylidone USP/EP/BP2,6-BIS(2-THIENYLIDENE)CYCLOHEXANONE2,6-Bis(2-thienylmethylene)cyclohexanoneCyclohexanone, 2,6-bis(2-thienylmethylene)-
Database identifiers
- CAS
893-01-6- PubChem CID
- 72068
- DTXSID
DTXSID2046254- ChEMBL
CHEMBL2354531
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 156 °C · 156 °C
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- FDA UNII
- 75 C83N4YJ7 · 75C83N4YJ7
Chemistry & industry
Applications
Usescontrast agent
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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