Naphtho[2,1-b]thiophen-1(2H)-one, 2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)-
Basic information
- CAS
3989-75-1- Standard SMILES
O=C1C(=C2Sc3ccc4ccccc4c3C2=O)Sc2ccc3ccccc3c21- InChIKey
RNJIWICOCATEFH-UHFFFAOYSA-N- Molecular formula
- C24H12O2S2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.02787197
Names & identifiers
- Preferred name
- Naphtho[2,1-b]thiophen-1(2H)-one, 2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)-
- IUPAC
- 2-(1-oxobenzo[e][1]benzothiol-2-ylidene)benzo[e][1]benzothiol-1-one
Names & synonyms
3989-75-1naphtho[2,1-b]thiophen-1(2h)-one, 2-(1-oxonaphtho[2,1-b]thien-2(1h)-ylidene)-DTXSID3063255Naphtho(2,1-b)thiophen-1(2H)-one, 2-(1-oxonaphtho(2,1-b)thien-2(1H)-ylidene)-RefChem:365441DTXCID1039686Vat Brown 52-(1-oxobenzo[e][1]benzothiol-2-ylidene)benzo[e][1]benzothiol-1-oneRNJIWICOCATEFH-UHFFFAOYSA-NNS00048852
Database identifiers
- CAS
3989-75-1- PubChem CID
- 77608
- DTXSID
DTXSID3063255- EC Number
- 223-633-6
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[2,1-b]thiophen-1(2H)-one, 2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)-: ACTIVE
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Related reactions
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Compound notes
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