1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene

C12H8I2O2S2 — CID 86209128

IUPAC1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene
SMILESO=S(=O)(Sc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C12H8I2O2S2/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyILZHCLXQCYERCF-UHFFFAOYSA-N
MW502.14 g/mol
LogP4.38
Rot. Bonds3

About 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene

1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene (PubChem CID 86209128) has the molecular formula C12H8I2O2S2 and a molecular weight of 502.14 g/mol. Its IUPAC name is 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene.

Molecular Properties

Compound Name1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene
PubChem CID86209128
Molecular FormulaC12H8I2O2S2
Molecular Weight502.14 g/mol
Exact Mass501.81
IUPAC Name1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene
SMILESO=S(=O)(Sc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C12H8I2O2S2/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyILZHCLXQCYERCF-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.14
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

indigane;4-iodobenzenesulfonic acid
CID 173230358
indium(3+);tris(4-iodobenzenesulfonate)
CID 22604169
1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
(4-iodophenyl)sulfonylmethanol
CID 58552975
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
1-(4-iodophenyl)-2-(4-methylsulfonylphenyl)sulfanylethanone
CID 62402772
1,2-dimethyl-4-(4-phenylmethoxyphenyl)sulfanylsulfonylbenzene
CID 67617978
carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium
CID 58436422
1-(2-chloroethylsulfonyl)-4-iodobenzene
CID 54064657
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
S-(4-iodophenyl) ethanethioate
CID 11033177
1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole
CID 3753504

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene?
The IUPAC name of 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene (CID 86209128) is 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene.
What is the SMILES notation for 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene?
The canonical SMILES for 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene is O=S(=O)(Sc1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene?
The InChIKey is ILZHCLXQCYERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8I2O2S2/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene?
1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene has a molecular weight of 502.14 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene is sourced from PubChem (CID 86209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).