tetracosoxy thiohypoiodite

C24H49IOS — CID 175742005

IUPACtetracosoxy thiohypoiodite
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOSI
InChIInChI=1S/C24H49IOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-25/h2-24H2,1H3
InChIKeyRAPZSPNFLBQMGC-UHFFFAOYSA-N
MW512.63 g/mol
LogP10.60
Rot. Bonds24

About tetracosoxy thiohypoiodite

tetracosoxy thiohypoiodite (PubChem CID 175742005) has the molecular formula C24H49IOS and a molecular weight of 512.63 g/mol. Its IUPAC name is tetracosoxy thiohypoiodite.

Molecular Properties

Compound Nametetracosoxy thiohypoiodite
PubChem CID175742005
Molecular FormulaC24H49IOS
Molecular Weight512.63 g/mol
Exact Mass512.25
IUPAC Nametetracosoxy thiohypoiodite
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOSI
InChIInChI=1S/C24H49IOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-25/h2-24H2,1H3
InChIKeyRAPZSPNFLBQMGC-UHFFFAOYSA-N
XLogP10.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

octoxy thiohypoiodite
CID 134267423
ethane;octadecane
CID 143981738
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of tetracosoxy thiohypoiodite?
The IUPAC name of tetracosoxy thiohypoiodite (CID 175742005) is tetracosoxy thiohypoiodite.
What is the SMILES notation for tetracosoxy thiohypoiodite?
The canonical SMILES for tetracosoxy thiohypoiodite is CCCCCCCCCCCCCCCCCCCCCCCCOSI.
What is the InChIKey of tetracosoxy thiohypoiodite?
The InChIKey is RAPZSPNFLBQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49IOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-25/h2-24H2,1H3.
What are the key properties of tetracosoxy thiohypoiodite?
tetracosoxy thiohypoiodite has a molecular weight of 512.63 g/mol, XLogP of 10.60, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosoxy thiohypoiodite is sourced from PubChem (CID 175742005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).