5-ethyl-4-iodo-6-methyl-1-benzothiophene

C11H11IS — CID 130827103

IUPAC5-ethyl-4-iodo-6-methyl-1-benzothiophene
SMILESCCc1c(C)cc2sccc2c1I
InChIInChI=1S/C11H11IS/c1-3-8-7(2)6-10-9(11(8)12)4-5-13-10/h4-6H,3H2,1-2H3
InChIKeyKPVWSNUFNDGOAS-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.38
Rot. Bonds1

About 5-ethyl-4-iodo-6-methyl-1-benzothiophene

5-ethyl-4-iodo-6-methyl-1-benzothiophene (PubChem CID 130827103) has the molecular formula C11H11IS and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-ethyl-4-iodo-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-ethyl-4-iodo-6-methyl-1-benzothiophene
PubChem CID130827103
Molecular FormulaC11H11IS
Molecular Weight302.18 g/mol
Exact Mass301.96
IUPAC Name5-ethyl-4-iodo-6-methyl-1-benzothiophene
SMILESCCc1c(C)cc2sccc2c1I
InChIInChI=1S/C11H11IS/c1-3-8-7(2)6-10-9(11(8)12)4-5-13-10/h4-6H,3H2,1-2H3
InChIKeyKPVWSNUFNDGOAS-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.38
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

6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
6-ethyl-5-fluoro-4-iodo-1-benzothiophene
CID 130898645
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-iodo-5-methyl-1-benzothiophene
CID 146622274
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
2-(6-amino-4-iodo-1-benzothiophen-5-yl)acetonitrile
CID 131033805
5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
CID 131014676

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-iodo-6-methyl-1-benzothiophene?
The IUPAC name of 5-ethyl-4-iodo-6-methyl-1-benzothiophene (CID 130827103) is 5-ethyl-4-iodo-6-methyl-1-benzothiophene.
What is the SMILES notation for 5-ethyl-4-iodo-6-methyl-1-benzothiophene?
The canonical SMILES for 5-ethyl-4-iodo-6-methyl-1-benzothiophene is CCc1c(C)cc2sccc2c1I.
What is the InChIKey of 5-ethyl-4-iodo-6-methyl-1-benzothiophene?
The InChIKey is KPVWSNUFNDGOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IS/c1-3-8-7(2)6-10-9(11(8)12)4-5-13-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-iodo-6-methyl-1-benzothiophene?
5-ethyl-4-iodo-6-methyl-1-benzothiophene has a molecular weight of 302.18 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-iodo-6-methyl-1-benzothiophene is sourced from PubChem (CID 130827103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).