2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one

HCID 68224
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Basic information

CAS
522-75-8
Standard SMILES
O=C1C(=C2Sc3ccccc3C2=O)Sc2ccccc21
InChIKey
JOUDBUYBGJYFFP-UHFFFAOYSA-N
Molecular formula
C16H8O2S2
Average molar mass
296.4 g/mol
Monoisotopic mass
295.9965715

Overview

See also: Thioindigo (annotation moved to).

Names & identifiers

Preferred name
2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
IUPAC
2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one

Names & synonyms

IsothioindigoHelindon Red BBDurindone Printing Red B3H,3'H-[2,2'-Bibenzo[b]thiophenylidene]-3,3'-dioneC16H8O2S2(E)-3H,3'H-[2,2'-Bibenzo[b]thiophenylidene]-3,3'-dioneVat Red 413844-31-3C.I. 73300AS-56241T14892-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
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C.I. Solvent Red 242[.delta.2,2'(3H,3'H)-Bibenzo[b]thiophene]-3,3'-dioneSCHEMBL41632DTXSID8060169JOUDBUYBGJYFFP-UHFFFAOYSA-NVat Red 41; Fluorescent Red Dye2-(3-oxo-1-benzothiophen-2(3h)-ylidene)-1-benzothiophen-3(2h)-oneAKOS028108562

Database identifiers

CAS
522-75-8
PubChem CID
68224
DTXSID
DTXSID8060169

Properties

Computed structural propertiesFilling in

XLogP
4.1
Topological polar surface area
84.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
20

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