4-(4-aminophenyl)sulfanyl-2-iodophenol

C12H10INOS — CID 91879682

IUPAC4-(4-aminophenyl)sulfanyl-2-iodophenol
SMILESNc1ccc(Sc2ccc(O)c(I)c2)cc1
InChIInChI=1S/C12H10INOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2
InChIKeyCXPKFLWKMGMEAX-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.73
Rot. Bonds2

About 4-(4-aminophenyl)sulfanyl-2-iodophenol

4-(4-aminophenyl)sulfanyl-2-iodophenol (PubChem CID 91879682) has the molecular formula C12H10INOS and a molecular weight of 343.19 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-2-iodophenol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-2-iodophenol
PubChem CID91879682
Molecular FormulaC12H10INOS
Molecular Weight343.19 g/mol
Exact Mass342.95
IUPAC Name4-(4-aminophenyl)sulfanyl-2-iodophenol
SMILESNc1ccc(Sc2ccc(O)c(I)c2)cc1
InChIInChI=1S/C12H10INOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2
InChIKeyCXPKFLWKMGMEAX-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-2-iodophenol?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-2-iodophenol (CID 91879682) is 4-(4-aminophenyl)sulfanyl-2-iodophenol.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-2-iodophenol?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-2-iodophenol is Nc1ccc(Sc2ccc(O)c(I)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-2-iodophenol?
The InChIKey is CXPKFLWKMGMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2.
What are the key properties of 4-(4-aminophenyl)sulfanyl-2-iodophenol?
4-(4-aminophenyl)sulfanyl-2-iodophenol has a molecular weight of 343.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-2-iodophenol is sourced from PubChem (CID 91879682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).