4-methyl-2,6-diphenylthiopyrylium

C18H15S+ — CID 3562913

IUPAC4-methyl-2,6-diphenylthiopyrylium
SMILESCc1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1
InChIInChI=1S/C18H15S/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2-13H,1H3/q+1
InChIKeyBBIFSSHXMKXRCB-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.67
Rot. Bonds2

About 4-methyl-2,6-diphenylthiopyrylium

4-methyl-2,6-diphenylthiopyrylium (PubChem CID 3562913) has the molecular formula C18H15S+ and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-2,6-diphenylthiopyrylium.

Molecular Properties

Compound Name4-methyl-2,6-diphenylthiopyrylium
PubChem CID3562913
Molecular FormulaC18H15S+
Molecular Weight263.38 g/mol
Exact Mass263.09
IUPAC Name4-methyl-2,6-diphenylthiopyrylium
SMILESCc1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1
InChIInChI=1S/C18H15S/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2-13H,1H3/q+1
InChIKeyBBIFSSHXMKXRCB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.67
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-methyl-2,6-diphenylthiopyrylium?
The IUPAC name of 4-methyl-2,6-diphenylthiopyrylium (CID 3562913) is 4-methyl-2,6-diphenylthiopyrylium.
What is the SMILES notation for 4-methyl-2,6-diphenylthiopyrylium?
The canonical SMILES for 4-methyl-2,6-diphenylthiopyrylium is Cc1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-2,6-diphenylthiopyrylium?
The InChIKey is BBIFSSHXMKXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15S/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2-13H,1H3/q+1.
What are the key properties of 4-methyl-2,6-diphenylthiopyrylium?
4-methyl-2,6-diphenylthiopyrylium has a molecular weight of 263.38 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-diphenylthiopyrylium is sourced from PubChem (CID 3562913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).