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

C11H11IS2 — CID 131123133

IUPAC4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
SMILESCCc1c(I)c(SC)cc2sccc12
InChIInChI=1S/C11H11IS2/c1-3-7-8-4-5-14-9(8)6-10(13-2)11(7)12/h4-6H,3H2,1-2H3
InChIKeyIGLIFLHDXRWOMX-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.79
Rot. Bonds2

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

4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene (PubChem CID 131123133) has the molecular formula C11H11IS2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
PubChem CID131123133
Molecular FormulaC11H11IS2
Molecular Weight334.25 g/mol
Exact Mass333.93
IUPAC Name4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
SMILESCCc1c(I)c(SC)cc2sccc12
InChIInChI=1S/C11H11IS2/c1-3-7-8-4-5-14-9(8)6-10(13-2)11(7)12/h4-6H,3H2,1-2H3
InChIKeyIGLIFLHDXRWOMX-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130985925
5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
6-ethyl-5-fluoro-4-iodo-1-benzothiophene
CID 130898645
(6-methylsulfanyl-4-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130944101
4-ethyl-5-fluoro-1-benzothiophene
CID 130064581
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The IUPAC name of 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene (CID 131123133) is 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene is CCc1c(I)c(SC)cc2sccc12.
What is the InChIKey of 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The InChIKey is IGLIFLHDXRWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IS2/c1-3-7-8-4-5-14-9(8)6-10(13-2)11(7)12/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene has a molecular weight of 334.25 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131123133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).