(2-benzylphenyl)-dimethylsulfanium

C15H17S+ — CID 157137891

IUPAC(2-benzylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H17S/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3/q+1
InChIKeyAJVOGOJUWBWKRW-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.51
Rot. Bonds3

About (2-benzylphenyl)-dimethylsulfanium

(2-benzylphenyl)-dimethylsulfanium (PubChem CID 157137891) has the molecular formula C15H17S+ and a molecular weight of 229.37 g/mol. Its IUPAC name is (2-benzylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(2-benzylphenyl)-dimethylsulfanium
PubChem CID157137891
Molecular FormulaC15H17S+
Molecular Weight229.37 g/mol
Exact Mass229.10
IUPAC Name(2-benzylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H17S/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3/q+1
InChIKeyAJVOGOJUWBWKRW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-benzylphenyl)-dimethylsulfanium with MolForge

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

Launch Full Analysis

Related Compounds

(2-ethylphenyl)-dimethylsulfanium
CID 19799696
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
2-benzylphenol;ethane
CID 91068983
(4-benzylphenyl)-dimethylsulfanium
CID 160994584
benzylbenzene;methoxymethane
CID 161110966
phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
(2-benzylphenyl)azanide
CID 142239074
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-dimethylsulfanium?
The IUPAC name of (2-benzylphenyl)-dimethylsulfanium (CID 157137891) is (2-benzylphenyl)-dimethylsulfanium.
What is the SMILES notation for (2-benzylphenyl)-dimethylsulfanium?
The canonical SMILES for (2-benzylphenyl)-dimethylsulfanium is C[S+](C)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-dimethylsulfanium?
The InChIKey is AJVOGOJUWBWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17S/c1-16(2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3/q+1.
What are the key properties of (2-benzylphenyl)-dimethylsulfanium?
(2-benzylphenyl)-dimethylsulfanium has a molecular weight of 229.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-dimethylsulfanium is sourced from PubChem (CID 157137891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).