2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol

C26H22S2 — CID 141135956

IUPAC2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol
SMILESSc1ccccc1C(c1ccccc1)C(c1ccccc1)c1ccccc1S
InChIInChI=1S/C26H22S2/c27-23-17-9-7-15-21(23)25(19-11-3-1-4-12-19)26(20-13-5-2-6-14-20)22-16-8-10-18-24(22)28/h1-18,25-28H
InChIKeyRBSRSMITXUAAOE-UHFFFAOYSA-N
MW398.60 g/mol
LogP7.23
Rot. Bonds5

About 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol

2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol (PubChem CID 141135956) has the molecular formula C26H22S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol.

Molecular Properties

Compound Name2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol
PubChem CID141135956
Molecular FormulaC26H22S2
Molecular Weight398.60 g/mol
Exact Mass398.12
IUPAC Name2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol
SMILESSc1ccccc1C(c1ccccc1)C(c1ccccc1)c1ccccc1S
InChIInChI=1S/C26H22S2/c27-23-17-9-7-15-21(23)25(19-11-3-1-4-12-19)26(20-13-5-2-6-14-20)22-16-8-10-18-24(22)28/h1-18,25-28H
InChIKeyRBSRSMITXUAAOE-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol 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 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol?
The IUPAC name of 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol (CID 141135956) is 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol.
What is the SMILES notation for 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol?
The canonical SMILES for 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol is Sc1ccccc1C(c1ccccc1)C(c1ccccc1)c1ccccc1S.
What is the InChIKey of 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol?
The InChIKey is RBSRSMITXUAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S2/c27-23-17-9-7-15-21(23)25(19-11-3-1-4-12-19)26(20-13-5-2-6-14-20)22-16-8-10-18-24(22)28/h1-18,25-28H.
What are the key properties of 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol?
2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol has a molecular weight of 398.60 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-diphenyl-2-(2-sulfanylphenyl)ethyl]benzenethiol is sourced from PubChem (CID 141135956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).