benzhydryl(dimethyl)sulfanium

C15H17S+ — CID 5325325

IUPACbenzhydryl(dimethyl)sulfanium
SMILESC[S+](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17S/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3/q+1
InChIKeyGXVZPAGFZISANW-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.65
Rot. Bonds3

About benzhydryl(dimethyl)sulfanium

benzhydryl(dimethyl)sulfanium (PubChem CID 5325325) has the molecular formula C15H17S+ and a molecular weight of 229.37 g/mol. Its IUPAC name is benzhydryl(dimethyl)sulfanium.

Molecular Properties

Compound Namebenzhydryl(dimethyl)sulfanium
PubChem CID5325325
Molecular FormulaC15H17S+
Molecular Weight229.37 g/mol
Exact Mass229.10
IUPAC Namebenzhydryl(dimethyl)sulfanium
SMILESC[S+](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17S/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3/q+1
InChIKeyGXVZPAGFZISANW-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzhydryl(dimethyl)sulfanium 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 benzhydryl(dimethyl)sulfanium?
The IUPAC name of benzhydryl(dimethyl)sulfanium (CID 5325325) is benzhydryl(dimethyl)sulfanium.
What is the SMILES notation for benzhydryl(dimethyl)sulfanium?
The canonical SMILES for benzhydryl(dimethyl)sulfanium is C[S+](C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl(dimethyl)sulfanium?
The InChIKey is GXVZPAGFZISANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17S/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3/q+1.
What are the key properties of benzhydryl(dimethyl)sulfanium?
benzhydryl(dimethyl)sulfanium has a molecular weight of 229.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl(dimethyl)sulfanium is sourced from PubChem (CID 5325325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).