bis(4-methylphenyl)methyl-sulfanylidenephosphanium

C15H16PS+ — CID 154419135

IUPACbis(4-methylphenyl)methyl-sulfanylidenephosphanium
SMILESCc1ccc(C([PH+]=S)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15PS/c1-11-3-7-13(8-4-11)15(16-17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3/p+1
InChIKeyUWTHWMLVRVUQGA-UHFFFAOYSA-O
MW259.33 g/mol
LogP4.53
Rot. Bonds3

About bis(4-methylphenyl)methyl-sulfanylidenephosphanium

bis(4-methylphenyl)methyl-sulfanylidenephosphanium (PubChem CID 154419135) has the molecular formula C15H16PS+ and a molecular weight of 259.33 g/mol. Its IUPAC name is bis(4-methylphenyl)methyl-sulfanylidenephosphanium.

Molecular Properties

Compound Namebis(4-methylphenyl)methyl-sulfanylidenephosphanium
PubChem CID154419135
Molecular FormulaC15H16PS+
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Namebis(4-methylphenyl)methyl-sulfanylidenephosphanium
SMILESCc1ccc(C([PH+]=S)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15PS/c1-11-3-7-13(8-4-11)15(16-17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3/p+1
InChIKeyUWTHWMLVRVUQGA-UHFFFAOYSA-O
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methyl-sulfanylidenephosphanium?
The IUPAC name of bis(4-methylphenyl)methyl-sulfanylidenephosphanium (CID 154419135) is bis(4-methylphenyl)methyl-sulfanylidenephosphanium.
What is the SMILES notation for bis(4-methylphenyl)methyl-sulfanylidenephosphanium?
The canonical SMILES for bis(4-methylphenyl)methyl-sulfanylidenephosphanium is Cc1ccc(C([PH+]=S)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)methyl-sulfanylidenephosphanium?
The InChIKey is UWTHWMLVRVUQGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15PS/c1-11-3-7-13(8-4-11)15(16-17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3/p+1.
What are the key properties of bis(4-methylphenyl)methyl-sulfanylidenephosphanium?
bis(4-methylphenyl)methyl-sulfanylidenephosphanium has a molecular weight of 259.33 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methyl-sulfanylidenephosphanium is sourced from PubChem (CID 154419135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).