2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite

C19H22INO4S — CID 166959341

IUPAC2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite
SMILESCn1c2ccccc2c2ccc(OCCOCCOCCOSI)cc21
InChIInChI=1S/C19H22INO4S/c1-21-18-5-3-2-4-16(18)17-7-6-15(14-19(17)21)24-12-10-22-8-9-23-11-13-25-26-20/h2-7,14H,8-13H2,1H3
InChIKeyHGZQTJXZHZGJPW-UHFFFAOYSA-N
MW487.36 g/mol
LogP4.76
Rot. Bonds11

About 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite

2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite (PubChem CID 166959341) has the molecular formula C19H22INO4S and a molecular weight of 487.36 g/mol. Its IUPAC name is 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite
PubChem CID166959341
Molecular FormulaC19H22INO4S
Molecular Weight487.36 g/mol
Exact Mass487.03
IUPAC Name2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite
SMILESCn1c2ccccc2c2ccc(OCCOCCOCCOSI)cc21
InChIInChI=1S/C19H22INO4S/c1-21-18-5-3-2-4-16(18)17-7-6-15(14-19(17)21)24-12-10-22-8-9-23-11-13-25-26-20/h2-7,14H,8-13H2,1H3
InChIKeyHGZQTJXZHZGJPW-UHFFFAOYSA-N
XLogP4.76
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite?
The IUPAC name of 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite (CID 166959341) is 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite.
What is the SMILES notation for 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite?
The canonical SMILES for 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite is Cn1c2ccccc2c2ccc(OCCOCCOCCOSI)cc21.
What is the InChIKey of 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite?
The InChIKey is HGZQTJXZHZGJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO4S/c1-21-18-5-3-2-4-16(18)17-7-6-15(14-19(17)21)24-12-10-22-8-9-23-11-13-25-26-20/h2-7,14H,8-13H2,1H3.
What are the key properties of 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite?
2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite has a molecular weight of 487.36 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite is sourced from PubChem (CID 166959341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).