(4-benzylphenyl)-dimethylsulfanium

C15H17S+ — CID 160994584

IUPAC(4-benzylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H17S/c1-16(2)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1
InChIKeyYJXAHNYKJWPBFL-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.51
Rot. Bonds3

About (4-benzylphenyl)-dimethylsulfanium

(4-benzylphenyl)-dimethylsulfanium (PubChem CID 160994584) has the molecular formula C15H17S+ and a molecular weight of 229.37 g/mol. Its IUPAC name is (4-benzylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(4-benzylphenyl)-dimethylsulfanium
PubChem CID160994584
Molecular FormulaC15H17S+
Molecular Weight229.37 g/mol
Exact Mass229.10
IUPAC Name(4-benzylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H17S/c1-16(2)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1
InChIKeyYJXAHNYKJWPBFL-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'}

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Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-dimethylsulfanium?
The IUPAC name of (4-benzylphenyl)-dimethylsulfanium (CID 160994584) is (4-benzylphenyl)-dimethylsulfanium.
What is the SMILES notation for (4-benzylphenyl)-dimethylsulfanium?
The canonical SMILES for (4-benzylphenyl)-dimethylsulfanium is C[S+](C)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenyl)-dimethylsulfanium?
The InChIKey is YJXAHNYKJWPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17S/c1-16(2)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/q+1.
What are the key properties of (4-benzylphenyl)-dimethylsulfanium?
(4-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 (4-benzylphenyl)-dimethylsulfanium is sourced from PubChem (CID 160994584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).