3-ethyl-5-iodo-1-benzothiophene

C10H9IS — CID 20678685

IUPAC3-ethyl-5-iodo-1-benzothiophene
SMILESCCc1csc2ccc(I)cc12
InChIInChI=1S/C10H9IS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3
InChIKeyLKDFHVRYTPUIJA-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.07
Rot. Bonds1

About 3-ethyl-5-iodo-1-benzothiophene

3-ethyl-5-iodo-1-benzothiophene (PubChem CID 20678685) has the molecular formula C10H9IS and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-ethyl-5-iodo-1-benzothiophene.

Molecular Properties

Compound Name3-ethyl-5-iodo-1-benzothiophene
PubChem CID20678685
Molecular FormulaC10H9IS
Molecular Weight288.15 g/mol
Exact Mass287.95
IUPAC Name3-ethyl-5-iodo-1-benzothiophene
SMILESCCc1csc2ccc(I)cc12
InChIInChI=1S/C10H9IS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3
InChIKeyLKDFHVRYTPUIJA-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-ethyl-1-benzothiophene
CID 11708535
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
3-ethyl-6-methyl-1-benzothiophene
CID 142026591
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
CID 142901816
2-(5-ethyl-1-benzothiophen-3-yl)acetonitrile
CID 15816641
2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
CID 21469698
ethyl 2-(5-ethyl-1-benzothiophen-3-yl)acetate
CID 15816638
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
N-(1-benzothiophen-3-ylmethyl)-4-iodo-2-methylaniline
CID 63440961
3-butyl-5-chloro-1-benzothiophene
CID 67585304
5-methyl-3-(methylsulfonylmethyl)-1-benzothiophene
CID 117185057
3-ethyl-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 131223357

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-iodo-1-benzothiophene?
The IUPAC name of 3-ethyl-5-iodo-1-benzothiophene (CID 20678685) is 3-ethyl-5-iodo-1-benzothiophene.
What is the SMILES notation for 3-ethyl-5-iodo-1-benzothiophene?
The canonical SMILES for 3-ethyl-5-iodo-1-benzothiophene is CCc1csc2ccc(I)cc12.
What is the InChIKey of 3-ethyl-5-iodo-1-benzothiophene?
The InChIKey is LKDFHVRYTPUIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-5-iodo-1-benzothiophene?
3-ethyl-5-iodo-1-benzothiophene has a molecular weight of 288.15 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-iodo-1-benzothiophene is sourced from PubChem (CID 20678685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).