Basic information
- CAS
6252-78-4- Standard SMILES
O=C1C(=c2c(=O)c3cccc4cccc2c43)Sc2ccccc21- InChIKey
UFLQLEHQELUPJU-UHFFFAOYSA-N- Molecular formula
- C20H10O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.04015073
Names & identifiers
- Preferred name
- 2-(2-Oxoacenaphthylen-1(2h)-ylidene)-1-benzothiophen-3(2h)-one
- IUPAC
- 2-(2-oxoacenaphthylen-1-ylidene)-1-benzothiophen-3-one
- English name
- sodium 2-[3-(4-sulfonato-o-tolyliminio)-6-o-toluidino-3H-xanthen-9-yl]benzoate
- Molecular formula
- C20H10O2S
- Molecular weight
- 314.36
Names & synonyms
6252-78-4Oprea1_5754632-(2-Oxo-1(2H)-acenaphthylenylidene)benzo[b]thiophen-3(2H)-oneDTXSID701177562NS000433062-(2-oxoacenaphthylen-1(2h)-ylidene)-1-benzothiophen-3(2h)-oneC.I.73860Vat Red 45C.I.Vat Red 45Einecs 228-378-4C.I. Acid Violet 9Acid Violet 9 (C.I.)
Show more names
Vat red 45 (C.I. 73860)C.I.Vat Red 45:C.I.738602-(1-Oxoacenaphthene-2-ylidene)benzo[b]thiophene-3(2H)-one2-(2-oxo-2H-acenaphth-1-ylidene)benzo[b]thiophene-3(2H)-one
Database identifiers
- CAS
6252-78-4- PubChem CID
- 80401
- DTXSID
DTXSID701177562- EC Number
- 228-378-4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 592
Chemistry & industry
Preparation methods
PreparationBenzo[b]thiophen-3(2H)-one or3-Oxo-2,3-dihydrobenzo[b]thiophene-2-carboxylic acid and 1,2-Acenaphthylenedioneor partial reduction of the condensation product.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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