4-chlorodibenzothiophene

C12H7ClS — CID 527136

IUPAC4-chlorodibenzothiophene
SMILESClc1cccc2c1sc1ccccc12
InChIInChI=1S/C12H7ClS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKeyHGRZBGFNEVHNDV-UHFFFAOYSA-N
MW218.71 g/mol
LogP4.71
Rot. Bonds

About 4-chlorodibenzothiophene

4-chlorodibenzothiophene (PubChem CID 527136) has the molecular formula C12H7ClS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chlorodibenzothiophene.

Molecular Properties

Compound Name4-chlorodibenzothiophene
PubChem CID527136
Molecular FormulaC12H7ClS
Molecular Weight218.71 g/mol
Exact Mass218.00
IUPAC Name4-chlorodibenzothiophene
SMILESClc1cccc2c1sc1ccccc12
InChIInChI=1S/C12H7ClS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKeyHGRZBGFNEVHNDV-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chlorodibenzothiophene?
The IUPAC name of 4-chlorodibenzothiophene (CID 527136) is 4-chlorodibenzothiophene.
What is the SMILES notation for 4-chlorodibenzothiophene?
The canonical SMILES for 4-chlorodibenzothiophene is Clc1cccc2c1sc1ccccc12.
What is the InChIKey of 4-chlorodibenzothiophene?
The InChIKey is HGRZBGFNEVHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H.
What are the key properties of 4-chlorodibenzothiophene?
4-chlorodibenzothiophene has a molecular weight of 218.71 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorodibenzothiophene is sourced from PubChem (CID 527136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).