4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium

C15H17S2+ — CID 59083508

IUPAC4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium
SMILESCC1=CC(=Cc2cc(C)[s+]c(C)c2)C=C(C)S1
InChIInChI=1S/C15H17S2/c1-10-5-14(6-11(2)16-10)9-15-7-12(3)17-13(4)8-15/h5-9H,1-4H3/q+1
InChIKeyUJWRLIWFLHPZQZ-UHFFFAOYSA-N
MW261.43 g/mol
LogP5.58
Rot. Bonds1

About 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium

4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium (PubChem CID 59083508) has the molecular formula C15H17S2+ and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium.

Molecular Properties

Compound Name4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium
PubChem CID59083508
Molecular FormulaC15H17S2+
Molecular Weight261.43 g/mol
Exact Mass261.08
IUPAC Name4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium
SMILESCC1=CC(=Cc2cc(C)[s+]c(C)c2)C=C(C)S1
InChIInChI=1S/C15H17S2/c1-10-5-14(6-11(2)16-10)9-15-7-12(3)17-13(4)8-15/h5-9H,1-4H3/q+1
InChIKeyUJWRLIWFLHPZQZ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium 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

(4Z)-2-[(2,6-dimethylthiopyran-4-ylidene)methyl]-4-[(2,6-dimethylthiopyrylium-4-yl)methylidene]-3-oxocyclobuten-1-olate
CID 22942793
2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol
CID 22892735
(4Z)-2-[(Z)-(2-tert-butyl-6-propylthiopyran-4-ylidene)methyl]-4-[(2-tert-butyl-6-propylthiopyrylium-4-yl)methylidene]-3-hydroxycyclobut-2-en-1-one
CID 154006327
2-[[2,6-bis(3,3-dimethylbutyl)thiopyran-4-ylidene]methyl]-4-[(2,6-ditert-butylthiopyrylium-4-yl)methylidene]-3-oxocyclobuten-1-olate
CID 140765627
(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
CID 139888618
4-[[4-hydroxy-3-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methylidene]-2-methyl-6-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,5-dien-1-one
CID 54015757
(5E)-2-[(E)-(2-tert-butyl-6-phenylthiopyran-4-ylidene)methyl]-5-[(2-tert-butyl-6-phenylthiopyrylium-4-yl)methylidene]-3,4-dioxocyclopenten-1-olate
CID 147849842
2-[(E)-[2-tert-butyl-6-(2-methylbutan-2-yl)thiopyran-4-ylidene]methyl]-4-[[2-tert-butyl-6-(2-methylbutan-2-yl)thiopyrylium-4-yl]methylidene]-3-hydroxycyclobut-2-en-1-one
CID 157182712
2-[(2,6-dipentylthiopyran-4-ylidene)methyl]-4-[(2,6-dipentylthiopyrylium-4-yl)methylidene]-3-hydroxycyclobut-2-en-1-one
CID 140670486
2,6-ditert-butyl-4-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium
CID 13007663
4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 70633151
2-[[2,6-bis(2,2-dimethylpropyl)thiopyran-4-ylidene]methyl]-4-[[2,6-di(propan-2-yl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate
CID 140765645

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium?
The IUPAC name of 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium (CID 59083508) is 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium.
What is the SMILES notation for 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium?
The canonical SMILES for 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium is CC1=CC(=Cc2cc(C)[s+]c(C)c2)C=C(C)S1.
What is the InChIKey of 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium?
The InChIKey is UJWRLIWFLHPZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17S2/c1-10-5-14(6-11(2)16-10)9-15-7-12(3)17-13(4)8-15/h5-9H,1-4H3/q+1.
What are the key properties of 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium?
4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium has a molecular weight of 261.43 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylthiopyran-4-ylidene)methyl]-2,6-dimethylthiopyrylium is sourced from PubChem (CID 59083508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).