hydroxy-diphenyl-sulfanyl-λ4-sulfane

C12H12OS2 — CID 175493939

IUPAChydroxy-diphenyl-sulfanyl-λ4-sulfane
SMILESOS(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H12OS2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyTVXZZCHEXZMVOK-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.23
Rot. Bonds2

About hydroxy-diphenyl-sulfanyl-λ4-sulfane

hydroxy-diphenyl-sulfanyl-λ4-sulfane (PubChem CID 175493939) has the molecular formula C12H12OS2 and a molecular weight of 236.36 g/mol. Its IUPAC name is hydroxy-diphenyl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-diphenyl-sulfanyl-λ4-sulfane
PubChem CID175493939
Molecular FormulaC12H12OS2
Molecular Weight236.36 g/mol
Exact Mass236.03
IUPAC Namehydroxy-diphenyl-sulfanyl-λ4-sulfane
SMILESOS(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H12OS2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyTVXZZCHEXZMVOK-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-diphenyl-sulfanyl-λ4-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 hydroxy-diphenyl-sulfanyl-λ4-sulfane?
The IUPAC name of hydroxy-diphenyl-sulfanyl-λ4-sulfane (CID 175493939) is hydroxy-diphenyl-sulfanyl-λ4-sulfane.
What is the SMILES notation for hydroxy-diphenyl-sulfanyl-λ4-sulfane?
The canonical SMILES for hydroxy-diphenyl-sulfanyl-λ4-sulfane is OS(S)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-diphenyl-sulfanyl-λ4-sulfane?
The InChIKey is TVXZZCHEXZMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of hydroxy-diphenyl-sulfanyl-λ4-sulfane?
hydroxy-diphenyl-sulfanyl-λ4-sulfane has a molecular weight of 236.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-diphenyl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 175493939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).