dibenzothiophene-4,6-dicarbaldehyde

C14H8O2S — CID 10911644

IUPACdibenzothiophene-4,6-dicarbaldehyde
SMILESO=Cc1cccc2c1sc1c(C=O)cccc12
InChIInChI=1S/C14H8O2S/c15-7-9-3-1-5-11-12-6-2-4-10(8-16)14(12)17-13(9)11/h1-8H
InChIKeyLFJZDTIEDRKBBA-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.68
Rot. Bonds2

About dibenzothiophene-4,6-dicarbaldehyde

dibenzothiophene-4,6-dicarbaldehyde (PubChem CID 10911644) has the molecular formula C14H8O2S and a molecular weight of 240.28 g/mol. Its IUPAC name is dibenzothiophene-4,6-dicarbaldehyde.

Molecular Properties

Compound Namedibenzothiophene-4,6-dicarbaldehyde
PubChem CID10911644
Molecular FormulaC14H8O2S
Molecular Weight240.28 g/mol
Exact Mass240.02
IUPAC Namedibenzothiophene-4,6-dicarbaldehyde
SMILESO=Cc1cccc2c1sc1c(C=O)cccc12
InChIInChI=1S/C14H8O2S/c15-7-9-3-1-5-11-12-6-2-4-10(8-16)14(12)17-13(9)11/h1-8H
InChIKeyLFJZDTIEDRKBBA-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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Related Compounds

1-Benzothiophene-2-carbaldehyde
CID 736500
Benzo(b)thiophene-5-carboxaldehyde
CID 139097
1-Benzothiophene-3-carbaldehyde
CID 227328
2-(Benzo(b)thien-2-oyl)benzo(b)thiophene
CID 5330534
5-Methyl-1-benzothiophene-2-carbaldehyde
CID 2794770
1-Benzothiophene-7-carbaldehyde
CID 10702138
1-Benzothiophen-2-yl(naphthalen-1-yl)methanone
CID 64428131
2-Acetyldibenzothiophene
CID 312027
3-Acetyldibenzothiophene
CID 31178
3-Methylbenzo(b)thiophene-2-carboxaldehyde
CID 519918
Dibenzothiophene-2,8-dicarbaldehyde
CID 3448016
Dibenzo[b,d]thiophene-4-carbaldehyde
CID 641359

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-4,6-dicarbaldehyde?
The IUPAC name of dibenzothiophene-4,6-dicarbaldehyde (CID 10911644) is dibenzothiophene-4,6-dicarbaldehyde.
What is the SMILES notation for dibenzothiophene-4,6-dicarbaldehyde?
The canonical SMILES for dibenzothiophene-4,6-dicarbaldehyde is O=Cc1cccc2c1sc1c(C=O)cccc12.
What is the InChIKey of dibenzothiophene-4,6-dicarbaldehyde?
The InChIKey is LFJZDTIEDRKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S/c15-7-9-3-1-5-11-12-6-2-4-10(8-16)14(12)17-13(9)11/h1-8H.
What are the key properties of dibenzothiophene-4,6-dicarbaldehyde?
dibenzothiophene-4,6-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-4,6-dicarbaldehyde is sourced from PubChem (CID 10911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).