2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene

C11H11IOS2 — CID 151590579

IUPAC2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene
SMILESCOC(CI)(c1cccs1)c1cccs1
InChIInChI=1S/C11H11IOS2/c1-13-11(8-12,9-4-2-6-14-9)10-5-3-7-15-10/h2-7H,8H2,1H3
InChIKeyQIKRZOSYVMCUIZ-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene

2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene (PubChem CID 151590579) has the molecular formula C11H11IOS2 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene
PubChem CID151590579
Molecular FormulaC11H11IOS2
Molecular Weight350.25 g/mol
Exact Mass349.93
IUPAC Name2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene
SMILESCOC(CI)(c1cccs1)c1cccs1
InChIInChI=1S/C11H11IOS2/c1-13-11(8-12,9-4-2-6-14-9)10-5-3-7-15-10/h2-7H,8H2,1H3
InChIKeyQIKRZOSYVMCUIZ-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene?
The IUPAC name of 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene (CID 151590579) is 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene.
What is the SMILES notation for 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene?
The canonical SMILES for 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene is COC(CI)(c1cccs1)c1cccs1.
What is the InChIKey of 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene?
The InChIKey is QIKRZOSYVMCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IOS2/c1-13-11(8-12,9-4-2-6-14-9)10-5-3-7-15-10/h2-7H,8H2,1H3.
What are the key properties of 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene?
2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene has a molecular weight of 350.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene is sourced from PubChem (CID 151590579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).