3-ethyl-2,3-dihydro-1-benzothiophene

C10H12S — CID 44719301

IUPAC3-ethyl-2,3-dihydro-1-benzothiophene
SMILESCCC1CSc2ccccc21
InChIInChI=1S/C10H12S/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-6,8H,2,7H2,1H3
InChIKeyHZIAQBAHMBBXFU-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.29
Rot. Bonds1

About 3-ethyl-2,3-dihydro-1-benzothiophene

3-ethyl-2,3-dihydro-1-benzothiophene (PubChem CID 44719301) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name3-ethyl-2,3-dihydro-1-benzothiophene
PubChem CID44719301
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-ethyl-2,3-dihydro-1-benzothiophene
SMILESCCC1CSc2ccccc21
InChIInChI=1S/C10H12S/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-6,8H,2,7H2,1H3
InChIKeyHZIAQBAHMBBXFU-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 3-ethyl-2,3-dihydro-1-benzothiophene (CID 44719301) is 3-ethyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 3-ethyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 3-ethyl-2,3-dihydro-1-benzothiophene is CCC1CSc2ccccc21.
What is the InChIKey of 3-ethyl-2,3-dihydro-1-benzothiophene?
The InChIKey is HZIAQBAHMBBXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-ethyl-2,3-dihydro-1-benzothiophene?
3-ethyl-2,3-dihydro-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 44719301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).