bis(5-phenylsulfanylthiophen-2-yl)iodanium

C20H14IS4+ — CID 154075830

IUPACbis(5-phenylsulfanylthiophen-2-yl)iodanium
SMILESc1ccc(Sc2ccc([I+]c3ccc(Sc4ccccc4)s3)s2)cc1
InChIInChI=1S/C20H14IS4/c1-3-7-15(8-4-1)22-19-13-11-17(24-19)21-18-12-14-20(25-18)23-16-9-5-2-6-10-16/h1-14H/q+1
InChIKeyJSBPNINPCLPUPQ-UHFFFAOYSA-N
MW509.50 g/mol
LogP4.24
Rot. Bonds6

About bis(5-phenylsulfanylthiophen-2-yl)iodanium

bis(5-phenylsulfanylthiophen-2-yl)iodanium (PubChem CID 154075830) has the molecular formula C20H14IS4+ and a molecular weight of 509.50 g/mol. Its IUPAC name is bis(5-phenylsulfanylthiophen-2-yl)iodanium.

Molecular Properties

Compound Namebis(5-phenylsulfanylthiophen-2-yl)iodanium
PubChem CID154075830
Molecular FormulaC20H14IS4+
Molecular Weight509.50 g/mol
Exact Mass508.90
IUPAC Namebis(5-phenylsulfanylthiophen-2-yl)iodanium
SMILESc1ccc(Sc2ccc([I+]c3ccc(Sc4ccccc4)s3)s2)cc1
InChIInChI=1S/C20H14IS4/c1-3-7-15(8-4-1)22-19-13-11-17(24-19)21-18-12-14-20(25-18)23-16-9-5-2-6-10-16/h1-14H/q+1
InChIKeyJSBPNINPCLPUPQ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.50
LogP ≤ 54.24
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 bis(5-phenylsulfanylthiophen-2-yl)iodanium?
The IUPAC name of bis(5-phenylsulfanylthiophen-2-yl)iodanium (CID 154075830) is bis(5-phenylsulfanylthiophen-2-yl)iodanium.
What is the SMILES notation for bis(5-phenylsulfanylthiophen-2-yl)iodanium?
The canonical SMILES for bis(5-phenylsulfanylthiophen-2-yl)iodanium is c1ccc(Sc2ccc([I+]c3ccc(Sc4ccccc4)s3)s2)cc1.
What is the InChIKey of bis(5-phenylsulfanylthiophen-2-yl)iodanium?
The InChIKey is JSBPNINPCLPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14IS4/c1-3-7-15(8-4-1)22-19-13-11-17(24-19)21-18-12-14-20(25-18)23-16-9-5-2-6-10-16/h1-14H/q+1.
What are the key properties of bis(5-phenylsulfanylthiophen-2-yl)iodanium?
bis(5-phenylsulfanylthiophen-2-yl)iodanium has a molecular weight of 509.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-phenylsulfanylthiophen-2-yl)iodanium is sourced from PubChem (CID 154075830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).