iodo(triphenyl)-lambda4-sulfane

C18H15IS — CID 12932029

IUPACiodo(triphenyl)-lambda4-sulfane
SMILESIS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15IS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyIKKIQCJURVQKQC-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.32
Rot. Bonds3

About iodo(triphenyl)-lambda4-sulfane

iodo(triphenyl)-lambda4-sulfane (PubChem CID 12932029) has the molecular formula C18H15IS and a molecular weight of 390.29 g/mol. Its IUPAC name is iodo(triphenyl)-lambda4-sulfane.

Molecular Properties

Compound Nameiodo(triphenyl)-lambda4-sulfane
PubChem CID12932029
Molecular FormulaC18H15IS
Molecular Weight390.29 g/mol
Exact Mass389.99
IUPAC Nameiodo(triphenyl)-lambda4-sulfane
SMILESIS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15IS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyIKKIQCJURVQKQC-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iodo(triphenyl)-lambda4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iodo(triphenyl)-lambda4-sulfane?
The IUPAC name of iodo(triphenyl)-lambda4-sulfane (CID 12932029) is iodo(triphenyl)-lambda4-sulfane.
What is the SMILES notation for iodo(triphenyl)-lambda4-sulfane?
The canonical SMILES for iodo(triphenyl)-lambda4-sulfane is IS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo(triphenyl)-lambda4-sulfane?
The InChIKey is IKKIQCJURVQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of iodo(triphenyl)-lambda4-sulfane?
iodo(triphenyl)-lambda4-sulfane has a molecular weight of 390.29 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(triphenyl)-lambda4-sulfane is sourced from PubChem (CID 12932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).