8-chloro-3-methyldibenzothiophene-1-carbaldehyde

C14H9ClOS — CID 135008395

IUPAC8-chloro-3-methyldibenzothiophene-1-carbaldehyde
SMILESCc1cc(C=O)c2c(c1)sc1ccc(Cl)cc12
InChIInChI=1S/C14H9ClOS/c1-8-4-9(7-16)14-11-6-10(15)2-3-12(11)17-13(14)5-8/h2-7H,1H3
InChIKeyLSWMHGOIJMNELJ-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.83
Rot. Bonds1

About 8-chloro-3-methyldibenzothiophene-1-carbaldehyde

8-chloro-3-methyldibenzothiophene-1-carbaldehyde (PubChem CID 135008395) has the molecular formula C14H9ClOS and a molecular weight of 260.75 g/mol. Its IUPAC name is 8-chloro-3-methyldibenzothiophene-1-carbaldehyde.

Molecular Properties

Compound Name8-chloro-3-methyldibenzothiophene-1-carbaldehyde
PubChem CID135008395
Molecular FormulaC14H9ClOS
Molecular Weight260.75 g/mol
Exact Mass260.01
IUPAC Name8-chloro-3-methyldibenzothiophene-1-carbaldehyde
SMILESCc1cc(C=O)c2c(c1)sc1ccc(Cl)cc12
InChIInChI=1S/C14H9ClOS/c1-8-4-9(7-16)14-11-6-10(15)2-3-12(11)17-13(14)5-8/h2-7H,1H3
InChIKeyLSWMHGOIJMNELJ-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.83
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-chloro-3-methyldibenzothiophene-1-carbaldehyde?
The IUPAC name of 8-chloro-3-methyldibenzothiophene-1-carbaldehyde (CID 135008395) is 8-chloro-3-methyldibenzothiophene-1-carbaldehyde.
What is the SMILES notation for 8-chloro-3-methyldibenzothiophene-1-carbaldehyde?
The canonical SMILES for 8-chloro-3-methyldibenzothiophene-1-carbaldehyde is Cc1cc(C=O)c2c(c1)sc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-3-methyldibenzothiophene-1-carbaldehyde?
The InChIKey is LSWMHGOIJMNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS/c1-8-4-9(7-16)14-11-6-10(15)2-3-12(11)17-13(14)5-8/h2-7H,1H3.
What are the key properties of 8-chloro-3-methyldibenzothiophene-1-carbaldehyde?
8-chloro-3-methyldibenzothiophene-1-carbaldehyde has a molecular weight of 260.75 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyldibenzothiophene-1-carbaldehyde is sourced from PubChem (CID 135008395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).