Basic information
- CAS
6451-12-3- Standard SMILES
O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc4ccc5c(c4s3)C(=O)c3ccccc3C5=O)sc21- InChIKey
VYPILCHHNHVAAE-UHFFFAOYSA-N- Molecular formula
- C30H12N2O4S2
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.02384922
Names & identifiers
- Preferred name
- (2,2'-Bianthra(2,1-d)thiazole)-6,6',11,11'-tetraone
- IUPAC
- 2-(6,11-dioxonaphtho[2,3-g][1,3]benzothiazol-2-yl)naphtho[2,3-g][1,3]benzothiazole-6,11-dione
- English name
- [2,2'-Bianthra[2,1-d]thiazole]-6,6',11,11'-tetrone
- Molecular formula
- C30H12N2O4S2
- Molecular weight
- 528.55728
Names & synonyms
6451-12-3(2,2'-Bianthra(2,1-d)thiazole)-6,6',11,11'-tetraone[2,2'-bianthra[2,1-d]thiazole]-6,6',11,11'-tetroneEINECS 229-252-1AJH7ZQ9U8HDTXSID00214781VYPILCHHNHVAAE-UHFFFAOYSA-NNS00047297[2,2'-Bianthra[2,1-d][1,3]thiazole]-6,6',11,11'-tetroneC.I.70400Algol Yellow 8G
Database identifiers
- CAS
6451-12-3- PubChem CID
- 80930
- DTXSID
DTXSID00214781- UNII
- AJH7ZQ9U8H
- EC Number
- 229-252-1
- Nikkaji
- J88.094I
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 985
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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