4-ethyl-2-benzothiophene

C10H10S — CID 23446120

IUPAC4-ethyl-2-benzothiophene
SMILESCCc1cccc2cscc12
InChIInChI=1S/C10H10S/c1-2-8-4-3-5-9-6-11-7-10(8)9/h3-7H,2H2,1H3
InChIKeyLAUOIQPCUKFDRX-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.46
Rot. Bonds1

About 4-ethyl-2-benzothiophene

4-ethyl-2-benzothiophene (PubChem CID 23446120) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 4-ethyl-2-benzothiophene.

Molecular Properties

Compound Name4-ethyl-2-benzothiophene
PubChem CID23446120
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name4-ethyl-2-benzothiophene
SMILESCCc1cccc2cscc12
InChIInChI=1S/C10H10S/c1-2-8-4-3-5-9-6-11-7-10(8)9/h3-7H,2H2,1H3
InChIKeyLAUOIQPCUKFDRX-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-benzothiophene?
The IUPAC name of 4-ethyl-2-benzothiophene (CID 23446120) is 4-ethyl-2-benzothiophene.
What is the SMILES notation for 4-ethyl-2-benzothiophene?
The canonical SMILES for 4-ethyl-2-benzothiophene is CCc1cccc2cscc12.
What is the InChIKey of 4-ethyl-2-benzothiophene?
The InChIKey is LAUOIQPCUKFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-2-8-4-3-5-9-6-11-7-10(8)9/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-2-benzothiophene?
4-ethyl-2-benzothiophene has a molecular weight of 162.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-benzothiophene is sourced from PubChem (CID 23446120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).