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

C11H11IS2 — CID 130854626

IUPAC7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
SMILESCCc1c(SC)c(I)cc2ccsc12
InChIInChI=1S/C11H11IS2/c1-3-8-10-7(4-5-14-10)6-9(12)11(8)13-2/h4-6H,3H2,1-2H3
InChIKeyRRRZDGJOBHLNFI-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.79
Rot. Bonds2

About 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene

7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene (PubChem CID 130854626) has the molecular formula C11H11IS2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
PubChem CID130854626
Molecular FormulaC11H11IS2
Molecular Weight334.25 g/mol
Exact Mass333.93
IUPAC Name7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
SMILESCCc1c(SC)c(I)cc2ccsc12
InChIInChI=1S/C11H11IS2/c1-3-8-10-7(4-5-14-10)6-9(12)11(8)13-2/h4-6H,3H2,1-2H3
InChIKeyRRRZDGJOBHLNFI-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'}

Analyze 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
CID 131219142
5-bromo-7-(bromomethyl)-6-methylsulfanyl-1-benzothiophene
CID 130788892
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
5,7-diiodo-4-methylsulfanyl-1-benzothiophene
CID 130969546
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
2-(5-iodo-6-methyl-1-benzothiophen-7-yl)acetonitrile
CID 131150743
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The IUPAC name of 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene (CID 130854626) is 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene is CCc1c(SC)c(I)cc2ccsc12.
What is the InChIKey of 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
The InChIKey is RRRZDGJOBHLNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IS2/c1-3-8-10-7(4-5-14-10)6-9(12)11(8)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene?
7-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 7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130854626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).