Anthra[2,3-b]benzo[d]thiophene-7,12-dione

HCID 282271
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Basic information

CAS
13781-50-5
Standard SMILES
O=C1c2ccccc2C(=O)c2cc3c(cc21)sc1ccccc13
InChIKey
GTQCZMZQLQCVNV-UHFFFAOYSA-N
Molecular formula
C20H10O2S
Average molar mass
314.4 g/mol
Monoisotopic mass
314.04015056

Names & identifiers

Preferred name
Anthra[2,3-b]benzo[d]thiophene-7,12-dione
IUPAC
10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione

Names & synonyms

anthra[2,3-b]benzo[d]thiophene-7,12-dione13781-50-5NSC135513SCHEMBL2335645DTXSID70300241GTQCZMZQLQCVNV-UHFFFAOYSA-NNSC-135513

Database identifiers

CAS
13781-50-5
PubChem CID
282271
DTXSID
DTXSID70300241
Nikkaji
J3.543.043A

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
62.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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