dibenzothiophene-2,8-dicarbaldehyde

C14H8O2S — CID 3448016

IUPACdibenzothiophene-2,8-dicarbaldehyde
SMILESO=Cc1ccc2sc3ccc(C=O)cc3c2c1
InChIInChI=1S/C14H8O2S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13/h1-8H
InChIKeyLFAGMIMSUYTWDN-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.68
Rot. Bonds2

About dibenzothiophene-2,8-dicarbaldehyde

dibenzothiophene-2,8-dicarbaldehyde (PubChem CID 3448016) has the molecular formula C14H8O2S and a molecular weight of 240.28 g/mol. Its IUPAC name is dibenzothiophene-2,8-dicarbaldehyde.

Molecular Properties

Compound Namedibenzothiophene-2,8-dicarbaldehyde
PubChem CID3448016
Molecular FormulaC14H8O2S
Molecular Weight240.28 g/mol
Exact Mass240.02
IUPAC Namedibenzothiophene-2,8-dicarbaldehyde
SMILESO=Cc1ccc2sc3ccc(C=O)cc3c2c1
InChIInChI=1S/C14H8O2S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13/h1-8H
InChIKeyLFAGMIMSUYTWDN-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-2,8-dicarbaldehyde?
The IUPAC name of dibenzothiophene-2,8-dicarbaldehyde (CID 3448016) is dibenzothiophene-2,8-dicarbaldehyde.
What is the SMILES notation for dibenzothiophene-2,8-dicarbaldehyde?
The canonical SMILES for dibenzothiophene-2,8-dicarbaldehyde is O=Cc1ccc2sc3ccc(C=O)cc3c2c1.
What is the InChIKey of dibenzothiophene-2,8-dicarbaldehyde?
The InChIKey is LFAGMIMSUYTWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13/h1-8H.
What are the key properties of dibenzothiophene-2,8-dicarbaldehyde?
dibenzothiophene-2,8-dicarbaldehyde has a molecular weight of 240.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene-2,8-dicarbaldehyde is sourced from PubChem (CID 3448016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).