[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium

C15H15O2S+ — CID 91412865

IUPAC[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
SMILESC=[O+]c1ccc(CSc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15O2S/c1-16-13-5-3-12(4-6-13)11-18-15-9-7-14(17-2)8-10-15/h3-10H,1,11H2,2H3/q+1
InChIKeyYCLKJRPTCXACSE-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.07
Rot. Bonds5

About [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium

[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium (PubChem CID 91412865) has the molecular formula C15H15O2S+ and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
PubChem CID91412865
Molecular FormulaC15H15O2S+
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC Name[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
SMILESC=[O+]c1ccc(CSc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15O2S/c1-16-13-5-3-12(4-6-13)11-18-15-9-7-14(17-2)8-10-15/h3-10H,1,11H2,2H3/q+1
InChIKeyYCLKJRPTCXACSE-UHFFFAOYSA-N
XLogP4.07
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
5-[(4-methoxyphenyl)methylsulfanyl]-2-nitroaniline
CID 58010335
N-(4-methoxyphenyl)-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]nitrous amide
CID 142234430
N-[2-amino-5-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-cyano-2-methylpropanamide
CID 143602922
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium?
The IUPAC name of [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium (CID 91412865) is [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium.
What is the SMILES notation for [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium?
The canonical SMILES for [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium is C=[O+]c1ccc(CSc2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium?
The InChIKey is YCLKJRPTCXACSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2S/c1-16-13-5-3-12(4-6-13)11-18-15-9-7-14(17-2)8-10-15/h3-10H,1,11H2,2H3/q+1.
What are the key properties of [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium?
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium has a molecular weight of 259.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium is sourced from PubChem (CID 91412865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).