5,8-bis(5-iodothiophen-2-yl)quinoxaline

C16H8I2N2S2 — CID 57407727

IUPAC5,8-bis(5-iodothiophen-2-yl)quinoxaline
SMILESIc1ccc(-c2ccc(-c3ccc(I)s3)c3nccnc23)s1
InChIInChI=1S/C16H8I2N2S2/c17-13-5-3-11(21-13)9-1-2-10(12-4-6-14(18)22-12)16-15(9)19-7-8-20-16/h1-8H
InChIKeyWOOGZZMJDAQXMZ-UHFFFAOYSA-N
MW546.20 g/mol
LogP6.30
Rot. Bonds2

About 5,8-bis(5-iodothiophen-2-yl)quinoxaline

5,8-bis(5-iodothiophen-2-yl)quinoxaline (PubChem CID 57407727) has the molecular formula C16H8I2N2S2 and a molecular weight of 546.20 g/mol. Its IUPAC name is 5,8-bis(5-iodothiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-iodothiophen-2-yl)quinoxaline
PubChem CID57407727
Molecular FormulaC16H8I2N2S2
Molecular Weight546.20 g/mol
Exact Mass545.82
IUPAC Name5,8-bis(5-iodothiophen-2-yl)quinoxaline
SMILESIc1ccc(-c2ccc(-c3ccc(I)s3)c3nccnc23)s1
InChIInChI=1S/C16H8I2N2S2/c17-13-5-3-11(21-13)9-1-2-10(12-4-6-14(18)22-12)16-15(9)19-7-8-20-16/h1-8H
InChIKeyWOOGZZMJDAQXMZ-UHFFFAOYSA-N
XLogP6.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.20
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-iodothiophen-2-yl)quinoxaline?
The IUPAC name of 5,8-bis(5-iodothiophen-2-yl)quinoxaline (CID 57407727) is 5,8-bis(5-iodothiophen-2-yl)quinoxaline.
What is the SMILES notation for 5,8-bis(5-iodothiophen-2-yl)quinoxaline?
The canonical SMILES for 5,8-bis(5-iodothiophen-2-yl)quinoxaline is Ic1ccc(-c2ccc(-c3ccc(I)s3)c3nccnc23)s1.
What is the InChIKey of 5,8-bis(5-iodothiophen-2-yl)quinoxaline?
The InChIKey is WOOGZZMJDAQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8I2N2S2/c17-13-5-3-11(21-13)9-1-2-10(12-4-6-14(18)22-12)16-15(9)19-7-8-20-16/h1-8H.
What are the key properties of 5,8-bis(5-iodothiophen-2-yl)quinoxaline?
5,8-bis(5-iodothiophen-2-yl)quinoxaline has a molecular weight of 546.20 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(5-iodothiophen-2-yl)quinoxaline is sourced from PubChem (CID 57407727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).