2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene

C16H11IS2 — CID 46850752

IUPAC2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
SMILESIc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1
InChIInChI=1S/C16H11IS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyJSMALJSGGGBNHZ-VOTSOKGWSA-N
MW394.30 g/mol
LogP6.25
Rot. Bonds3

About 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene

2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene (PubChem CID 46850752) has the molecular formula C16H11IS2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
PubChem CID46850752
Molecular FormulaC16H11IS2
Molecular Weight394.30 g/mol
Exact Mass393.93
IUPAC Name2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
SMILESIc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1
InChIInChI=1S/C16H11IS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyJSMALJSGGGBNHZ-VOTSOKGWSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene (CID 46850752) is 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene is Ic1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1.
What is the InChIKey of 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The InChIKey is JSMALJSGGGBNHZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H11IS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+.
What are the key properties of 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene has a molecular weight of 394.30 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 46850752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).