iodozinc(1+);propylsulfinylbenzene

C9H11IOSZn — CID 14906269

IUPACiodozinc(1+);propylsulfinylbenzene
SMILES[CH2-]CCS(=O)c1ccccc1.[Zn+]I
InChIInChI=1S/C9H11OS.HI.Zn/c1-2-8-11(10)9-6-4-3-5-7-9;;/h3-7H,1-2,8H2;1H;/q-1;;+2/p-1
InChIKeyUEDGDFLOGZNUIE-UHFFFAOYSA-M
MW359.55 g/mol
LogP2.90
Rot. Bonds3

About iodozinc(1+);propylsulfinylbenzene

iodozinc(1+);propylsulfinylbenzene (PubChem CID 14906269) has the molecular formula C9H11IOSZn and a molecular weight of 359.55 g/mol. Its IUPAC name is iodozinc(1+);propylsulfinylbenzene.

Molecular Properties

Compound Nameiodozinc(1+);propylsulfinylbenzene
PubChem CID14906269
Molecular FormulaC9H11IOSZn
Molecular Weight359.55 g/mol
Exact Mass357.89
IUPAC Nameiodozinc(1+);propylsulfinylbenzene
SMILES[CH2-]CCS(=O)c1ccccc1.[Zn+]I
InChIInChI=1S/C9H11OS.HI.Zn/c1-2-8-11(10)9-6-4-3-5-7-9;;/h3-7H,1-2,8H2;1H;/q-1;;+2/p-1
InChIKeyUEDGDFLOGZNUIE-UHFFFAOYSA-M
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
CID 21391051
octadecylsulfinylbenzene
CID 10937741
4-(benzenesulfinyl)butylazanium chloride
CID 118514356
pent-4-enylsulfinylbenzene
CID 15893040
ethylsulfinylbenzene;palladium
CID 174712422
[(R)-hex-5-ynylsulfinyl]benzene
CID 125476852
2-iodoprop-2-enylsulfinylbenzene
CID 10685022
4-[2-(benzenesulfinyl)ethyl]pyrazolidine
CID 70595940
3-(benzenesulfinyl)propyl-trimethoxysilane
CID 18512472
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263

Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);propylsulfinylbenzene?
The IUPAC name of iodozinc(1+);propylsulfinylbenzene (CID 14906269) is iodozinc(1+);propylsulfinylbenzene.
What is the SMILES notation for iodozinc(1+);propylsulfinylbenzene?
The canonical SMILES for iodozinc(1+);propylsulfinylbenzene is [CH2-]CCS(=O)c1ccccc1.[Zn+]I.
What is the InChIKey of iodozinc(1+);propylsulfinylbenzene?
The InChIKey is UEDGDFLOGZNUIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11OS.HI.Zn/c1-2-8-11(10)9-6-4-3-5-7-9;;/h3-7H,1-2,8H2;1H;/q-1;;+2/p-1.
What are the key properties of iodozinc(1+);propylsulfinylbenzene?
iodozinc(1+);propylsulfinylbenzene has a molecular weight of 359.55 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);propylsulfinylbenzene is sourced from PubChem (CID 14906269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).