1-ethyldibenzothiophene

C14H12S — CID 3034805

IUPAC1-ethyldibenzothiophene
SMILESCCc1cccc2sc3ccccc3c12
InChIInChI=1S/C14H12S/c1-2-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15-13/h3-9H,2H2,1H3
InChIKeyIEFPJOMUXITDSC-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.62
Rot. Bonds1

About 1-ethyldibenzothiophene

1-ethyldibenzothiophene (PubChem CID 3034805) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-ethyldibenzothiophene.

Molecular Properties

Compound Name1-ethyldibenzothiophene
PubChem CID3034805
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1-ethyldibenzothiophene
SMILESCCc1cccc2sc3ccccc3c12
InChIInChI=1S/C14H12S/c1-2-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15-13/h3-9H,2H2,1H3
InChIKeyIEFPJOMUXITDSC-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyldibenzothiophene?
The IUPAC name of 1-ethyldibenzothiophene (CID 3034805) is 1-ethyldibenzothiophene.
What is the SMILES notation for 1-ethyldibenzothiophene?
The canonical SMILES for 1-ethyldibenzothiophene is CCc1cccc2sc3ccccc3c12.
What is the InChIKey of 1-ethyldibenzothiophene?
The InChIKey is IEFPJOMUXITDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-2-10-6-5-9-13-14(10)11-7-3-4-8-12(11)15-13/h3-9H,2H2,1H3.
What are the key properties of 1-ethyldibenzothiophene?
1-ethyldibenzothiophene has a molecular weight of 212.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyldibenzothiophene is sourced from PubChem (CID 3034805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).