1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene

C10H14S — CID 141307299

IUPAC1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
SMILESCCc1scc2c1CCCC2
InChIInChI=1S/C10H14S/c1-2-10-9-6-4-3-5-8(9)7-11-10/h7H,2-6H2,1H3
InChIKeyFOYONGIZTBACPC-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.19
Rot. Bonds1

About 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene

1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene (PubChem CID 141307299) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene.

Molecular Properties

Compound Name1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
PubChem CID141307299
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
SMILESCCc1scc2c1CCCC2
InChIInChI=1S/C10H14S/c1-2-10-9-6-4-3-5-8(9)7-11-10/h7H,2-6H2,1H3
InChIKeyFOYONGIZTBACPC-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene?
The IUPAC name of 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene (CID 141307299) is 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene.
What is the SMILES notation for 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene?
The canonical SMILES for 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene is CCc1scc2c1CCCC2.
What is the InChIKey of 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene?
The InChIKey is FOYONGIZTBACPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-2-10-9-6-4-3-5-8(9)7-11-10/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene?
1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene has a molecular weight of 166.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene is sourced from PubChem (CID 141307299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).