8-chlorodibenzothiophene-1-carbaldehyde

C13H7ClOS — CID 53359202

IUPAC8-chlorodibenzothiophene-1-carbaldehyde
SMILESO=Cc1cccc2sc3ccc(Cl)cc3c12
InChIInChI=1S/C13H7ClOS/c14-9-4-5-11-10(6-9)13-8(7-15)2-1-3-12(13)16-11/h1-7H
InChIKeyMXIQJFNZYNHBBZ-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.52
Rot. Bonds1

About 8-chlorodibenzothiophene-1-carbaldehyde

8-chlorodibenzothiophene-1-carbaldehyde (PubChem CID 53359202) has the molecular formula C13H7ClOS and a molecular weight of 246.72 g/mol. Its IUPAC name is 8-chlorodibenzothiophene-1-carbaldehyde.

Molecular Properties

Compound Name8-chlorodibenzothiophene-1-carbaldehyde
PubChem CID53359202
Molecular FormulaC13H7ClOS
Molecular Weight246.72 g/mol
Exact Mass245.99
IUPAC Name8-chlorodibenzothiophene-1-carbaldehyde
SMILESO=Cc1cccc2sc3ccc(Cl)cc3c12
InChIInChI=1S/C13H7ClOS/c14-9-4-5-11-10(6-9)13-8(7-15)2-1-3-12(13)16-11/h1-7H
InChIKeyMXIQJFNZYNHBBZ-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chlorodibenzothiophene-1-carbaldehyde?
The IUPAC name of 8-chlorodibenzothiophene-1-carbaldehyde (CID 53359202) is 8-chlorodibenzothiophene-1-carbaldehyde.
What is the SMILES notation for 8-chlorodibenzothiophene-1-carbaldehyde?
The canonical SMILES for 8-chlorodibenzothiophene-1-carbaldehyde is O=Cc1cccc2sc3ccc(Cl)cc3c12.
What is the InChIKey of 8-chlorodibenzothiophene-1-carbaldehyde?
The InChIKey is MXIQJFNZYNHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClOS/c14-9-4-5-11-10(6-9)13-8(7-15)2-1-3-12(13)16-11/h1-7H.
What are the key properties of 8-chlorodibenzothiophene-1-carbaldehyde?
8-chlorodibenzothiophene-1-carbaldehyde has a molecular weight of 246.72 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorodibenzothiophene-1-carbaldehyde is sourced from PubChem (CID 53359202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).