2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite

C30H24Cl2I2N2O6S2 — CID 142459826

About 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite

2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite (PubChem CID 142459826) has the molecular formula C30H24Cl2I2N2O6S2 and a molecular weight of 897.38 g/mol. Its IUPAC name is 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite.

Molecular Properties

• Compound Name: 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite
• PubChem CID: 142459826
• Molecular Formula: C30H24Cl2I2N2O6S2
• Molecular Weight: 897.38 g/mol
• Exact Mass: 895.85
• IUPAC Name: 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite
• SMILES: O=Cc1ccc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(OCCSI)n4)c3Cl)c2Cl)nc1OCCSI
• InChI: InChI=1S/C30H24Cl2I2N2O6S2/c31-27-21(17-41-25-9-7-19(15-37)29(35-25)39-11-13-43-33)3-1-5-23(27)24-6-2-4-22(28(24)32)18-42-26-10-8-20(16-38)30(36-26)40-12-14-44-34/h1-10,15-16H,11-14,17-18H2
• InChIKey: SYCIVODJIQNHEW-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 96.84 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.38
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite?

The IUPAC name of 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite (CID 142459826) is 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite.

What is the SMILES notation for 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite?

The canonical SMILES for 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite is O=Cc1ccc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(OCCSI)n4)c3Cl)c2Cl)nc1OCCSI.

What is the InChIKey of 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite?

The InChIKey is SYCIVODJIQNHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2I2N2O6S2/c31-27-21(17-41-25-9-7-19(15-37)29(35-25)39-11-13-43-33)3-1-5-23(27)24-6-2-4-22(28(24)32)18-42-26-10-8-20(16-38)30(36-26)40-12-14-44-34/h1-10,15-16H,11-14,17-18H2.

What are the key properties of 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite?

2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite has a molecular weight of 897.38 g/mol, XLogP of 9.16, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-iodosulfanylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-3-formyl-2-pyridinyl]oxy]ethyl thiohypoiodite is sourced from PubChem (CID 142459826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).