1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene

C14H12I2OS — CID 54230529

IUPAC1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene
SMILESO=S(Cc1ccc(I)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C14H12I2OS/c15-13-5-1-11(2-6-13)9-18(17)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyQIXRJKQUHDCZBS-UHFFFAOYSA-N
MW482.12 g/mol
LogP4.34
Rot. Bonds4

About 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene

1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene (PubChem CID 54230529) has the molecular formula C14H12I2OS and a molecular weight of 482.12 g/mol. Its IUPAC name is 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene
PubChem CID54230529
Molecular FormulaC14H12I2OS
Molecular Weight482.12 g/mol
Exact Mass481.87
IUPAC Name1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene
SMILESO=S(Cc1ccc(I)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C14H12I2OS/c15-13-5-1-11(2-6-13)9-18(17)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyQIXRJKQUHDCZBS-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.12
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodophenyl)methylsulfinyl]butan-2-amine
CID 81194469
1-[(4-iodophenyl)methylsulfinyl]butan-2-amine
CID 81189506
4-[(4-iodophenyl)methylsulfinyl]aniline
CID 65478340
1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154124087
1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154330077
(4-iodophenyl)methyl sulfite
CID 174745902
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
5-[(4-iodophenyl)methylsulfinyl]furan-2-carboxylic acid
CID 65477316
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
1-(fluoromethyl)-4-iodobenzene
CID 18622345
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
CID 14148730
1-[[(E)-2-(4-iodophenyl)ethenyl]sulfinylmethyl]-4-methoxybenzene
CID 68561165

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene?
The IUPAC name of 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene (CID 54230529) is 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene.
What is the SMILES notation for 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene?
The canonical SMILES for 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene is O=S(Cc1ccc(I)cc1)Cc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene?
The InChIKey is QIXRJKQUHDCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2OS/c15-13-5-1-11(2-6-13)9-18(17)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene?
1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene has a molecular weight of 482.12 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene is sourced from PubChem (CID 54230529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).