Basic information
- CAS
81-95-8- Standard SMILES
O=C1c2ccccc2-c2ccc(Sc3ccc4c5c(cccc35)C(=O)c3ccccc3-4)c3cccc1c23- InChIKey
LCZJUUYGFMLYCS-UHFFFAOYSA-N- Molecular formula
- C34H18O2S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.10275099
Names & identifiers
- Preferred name
- 3,3'-Thiobis(7H-benz(de)anthracen-7-one)
- IUPAC
- 3-(7-oxobenzo[a]phenalen-3-yl)sulfanylbenzo[b]phenalen-7-one
- English name
- 3,3'-thiobis[7H-benz[de]anthracen-7-one]
- Molecular formula
- C34H18O2S
- Molecular weight
- 490.57
Names & synonyms
81-95-83,3'-Thiobis(7H-benz(de)anthracen-7-one)3,3'-Thiobis[7H-benz[de]anthracen-7-one]AS23WB723Q7H-Benz(de)anthracen-7-one, 3,3'-thiobis-7H-Benz[de]anthracen-7-one, 3,3'-thiobis-EINECS 201-389-1NSC 86170NSC-86170UNII-AS23WB723QDTXSID00588597-MESO-BENZANTHRENONE, 3,3'-THIOBIS-
Show more names
3,3'-Dibenzanthronyl sulfide
3-((7-OXO-7H-BENZO(DE)ANTHRACEN-3-YL)THIO)-11B,11C-DIHYDRO-7H-BENZO(DE)ANTHRACEN-7-ONERefChem:90722DTXCID6048206201-389-1NSC861703-(7-oxobenzo[a]phenalen-3-yl)sulfanylbenzo[b]phenalen-7-oneLCZJUUYGFMLYCS-UHFFFAOYSA-N7H-Benz[de]anthracen-7-one,3'-thiobis-
Database identifiers
- CAS
81-95-8- PubChem CID
- 66497
- DTXSID
DTXSID0058859- UNII
- AS23WB723Q
- EC Number
- 201-389-1
- Nikkaji
- J192.594F
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 841
Physicochemical properties
- Melting point
- 347 °C · 347 °C
- Boiling point
- 777.9 · 777.9±29.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- FDA UNII
- 23 WB723Q · AS23WB723Q
- EPA Substance Registry System
- 7 H-Benz[de]anthracen-7-one, · 7H-Benz[de]anthracen-7-one, 3,3'-thiobis- (81-95-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7H-Benz[de]anthracen-7-one, 3,3'-thiobis-: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…