Basic information
- CAS
3989-75-1- Standard SMILES
O=C1/C(=C2\Sc3ccc4ccccc4c3C2=O)Sc2ccc3ccccc3c21- InChIKey
RNJIWICOCATEFH-WCWDXBQESA-N- Molecular formula
- C24H12O2S2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.02787197
Names & identifiers
- Preferred name
- 2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-one
- IUPAC
- (2E)-2-(1-oxobenzo[e][1]benzothiol-2-ylidene)benzo[e][1]benzothiol-1-one
Names & synonyms
2-(1-Oxonaphtho(2,1-b)thien-2(1H)-ylidene)naphtho(2,1-b)thiophen-1(2H)-one2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-oneRefChem:451216223-633-6C.I. Vat Brown 5Vat Brown 5Calcoloid Brown RRPVat Brown GCalcotone Brown 2RLithosol Fast Brown GPArlanone Brown GCiba Brown G
Show more names
Tina Brown GCiba Brown FGDurindone Brown GVat Brown RRDBenzindone Brown GDurindone Brown GPHostavat Brown 2RSandothrene Brown G
Database identifiers
- CAS
3989-75-1- PubChem CID
- 3000710
- EC Number
- 223-633-6
- Nikkaji
- J139.435E
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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