methylsulfanyl(phenoxy)phosphanium iodide

C7H10IOPS — CID 23446096

IUPACmethylsulfanyl(phenoxy)phosphanium iodide
SMILESCS[PH2+]Oc1ccccc1.[I-]
InChIInChI=1S/C7H9OPS.HI/c1-10-9-8-7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyQBZGVZDTNIRXKY-UHFFFAOYSA-N
MW300.10 g/mol
LogP-0.33
Rot. Bonds3

About methylsulfanyl(phenoxy)phosphanium iodide

methylsulfanyl(phenoxy)phosphanium iodide (PubChem CID 23446096) has the molecular formula C7H10IOPS and a molecular weight of 300.10 g/mol. Its IUPAC name is methylsulfanyl(phenoxy)phosphanium iodide.

Molecular Properties

Compound Namemethylsulfanyl(phenoxy)phosphanium iodide
PubChem CID23446096
Molecular FormulaC7H10IOPS
Molecular Weight300.10 g/mol
Exact Mass299.92
IUPAC Namemethylsulfanyl(phenoxy)phosphanium iodide
SMILESCS[PH2+]Oc1ccccc1.[I-]
InChIInChI=1S/C7H9OPS.HI/c1-10-9-8-7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyQBZGVZDTNIRXKY-UHFFFAOYSA-N
XLogP-0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenoxyphosphanium iodide
CID 19082624
methyl(phenoxysulfanyl)phosphane
CID 141436793
CID 57435787
CID 57435787
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
ethylsulfanylmethoxybenzene
CID 54359537
methoxymethyl diphenyl phosphate
CID 18345572
difluoromethoxybenzene;ethane
CID 142246454
methoxy(triphenoxy)phosphanium
CID 175056731
1-phenoxyethanol
CID 66611531
ethane;2-methylsulfanylethoxybenzene
CID 54419236

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(phenoxy)phosphanium iodide?
The IUPAC name of methylsulfanyl(phenoxy)phosphanium iodide (CID 23446096) is methylsulfanyl(phenoxy)phosphanium iodide.
What is the SMILES notation for methylsulfanyl(phenoxy)phosphanium iodide?
The canonical SMILES for methylsulfanyl(phenoxy)phosphanium iodide is CS[PH2+]Oc1ccccc1.[I-].
What is the InChIKey of methylsulfanyl(phenoxy)phosphanium iodide?
The InChIKey is QBZGVZDTNIRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9OPS.HI/c1-10-9-8-7-5-3-2-4-6-7;/h2-6,9H,1H3;1H.
What are the key properties of methylsulfanyl(phenoxy)phosphanium iodide?
methylsulfanyl(phenoxy)phosphanium iodide has a molecular weight of 300.10 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(phenoxy)phosphanium iodide is sourced from PubChem (CID 23446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).