2-Benzylthionaphthacene-5,12-dione

HCID 20063545
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Basic information

Standard SMILES
O=C1c2ccc(SCc3ccccc3)cc2C(=O)c2cc3ccccc3cc21
InChIKey
XVVKMQLCXWUDLN-UHFFFAOYSA-N
Molecular formula
C25H16O2S
Average molar mass
380.5 g/mol
Monoisotopic mass
380.08710092

Names & identifiers

Preferred name
2-Benzylthionaphthacene-5,12-dione
IUPAC
2-benzylsulfanyltetracene-5,12-dione

Names & synonyms

SCHEMBL9320566XVVKMQLCXWUDLN-UHFFFAOYSA-N2-Benzylthionaphthacene-5,12-dione

Database identifiers

PubChem CID
20063545

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
59.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
28

Related reactions

1 records
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Compound notes

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