(8-methoxythioxanthen-1-ylidene)-methyloxidanium

C15H13O2S+ — CID 86085148

IUPAC(8-methoxythioxanthen-1-ylidene)-methyloxidanium
SMILESCOc1cccc2sc3ccc/c(=[O+]\C)c-3cc12
InChIInChI=1S/C15H13O2S/c1-16-12-5-3-7-14-10(12)9-11-13(17-2)6-4-8-15(11)18-14/h3-9H,1-2H3/q+1
InChIKeyAAHNEORTHPKNNY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.54
Rot. Bonds1

About (8-methoxythioxanthen-1-ylidene)-methyloxidanium

(8-methoxythioxanthen-1-ylidene)-methyloxidanium (PubChem CID 86085148) has the molecular formula C15H13O2S+ and a molecular weight of 257.33 g/mol. Its IUPAC name is (8-methoxythioxanthen-1-ylidene)-methyloxidanium.

Molecular Properties

Compound Name(8-methoxythioxanthen-1-ylidene)-methyloxidanium
PubChem CID86085148
Molecular FormulaC15H13O2S+
Molecular Weight257.33 g/mol
Exact Mass257.06
IUPAC Name(8-methoxythioxanthen-1-ylidene)-methyloxidanium
SMILESCOc1cccc2sc3ccc/c(=[O+]\C)c-3cc12
InChIInChI=1S/C15H13O2S/c1-16-12-5-3-7-14-10(12)9-11-13(17-2)6-4-8-15(11)18-14/h3-9H,1-2H3/q+1
InChIKeyAAHNEORTHPKNNY-UHFFFAOYSA-N
XLogP3.54
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
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1,2,3-trimethoxybenzene;hydrofluoride
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5-(2,3-dimethoxyphenyl)thiophene-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of (8-methoxythioxanthen-1-ylidene)-methyloxidanium?
The IUPAC name of (8-methoxythioxanthen-1-ylidene)-methyloxidanium (CID 86085148) is (8-methoxythioxanthen-1-ylidene)-methyloxidanium.
What is the SMILES notation for (8-methoxythioxanthen-1-ylidene)-methyloxidanium?
The canonical SMILES for (8-methoxythioxanthen-1-ylidene)-methyloxidanium is COc1cccc2sc3ccc/c(=[O+]\C)c-3cc12.
What is the InChIKey of (8-methoxythioxanthen-1-ylidene)-methyloxidanium?
The InChIKey is AAHNEORTHPKNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2S/c1-16-12-5-3-7-14-10(12)9-11-13(17-2)6-4-8-15(11)18-14/h3-9H,1-2H3/q+1.
What are the key properties of (8-methoxythioxanthen-1-ylidene)-methyloxidanium?
(8-methoxythioxanthen-1-ylidene)-methyloxidanium has a molecular weight of 257.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxythioxanthen-1-ylidene)-methyloxidanium is sourced from PubChem (CID 86085148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).