1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene

C13H10ClIOS — CID 154124087

IUPAC1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H10ClIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyJVTZXFUSDPSAOF-UHFFFAOYSA-N
MW376.65 g/mol
LogP4.25
Rot. Bonds3

About 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene

1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene (PubChem CID 154124087) has the molecular formula C13H10ClIOS and a molecular weight of 376.65 g/mol. Its IUPAC name is 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
PubChem CID154124087
Molecular FormulaC13H10ClIOS
Molecular Weight376.65 g/mol
Exact Mass375.92
IUPAC Name1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H10ClIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyJVTZXFUSDPSAOF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The IUPAC name of 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene (CID 154124087) is 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene is O=S(Cc1ccc(Cl)cc1)c1ccc(I)cc1.
What is the InChIKey of 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The InChIKey is JVTZXFUSDPSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2.
What are the key properties of 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene has a molecular weight of 376.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 154124087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).