[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium

C15H18NOS+ — CID 6947704

IUPAC[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Sc1ccccc1O
InChIInChI=1S/C15H17NOS/c1-16(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)17/h3-10,17H,11H2,1-2H3/p+1
InChIKeyLIUYMMIIJPJJSD-UHFFFAOYSA-O
MW260.38 g/mol
LogP2.19
Rot. Bonds4

About [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium

[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium (PubChem CID 6947704) has the molecular formula C15H18NOS+ and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium
PubChem CID6947704
Molecular FormulaC15H18NOS+
Molecular Weight260.38 g/mol
Exact Mass260.11
IUPAC Name[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Sc1ccccc1O
InChIInChI=1S/C15H17NOS/c1-16(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)17/h3-10,17H,11H2,1-2H3/p+1
InChIKeyLIUYMMIIJPJJSD-UHFFFAOYSA-O
XLogP2.19
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium?
The IUPAC name of [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium (CID 6947704) is [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium?
The canonical SMILES for [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1Sc1ccccc1O.
What is the InChIKey of [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium?
The InChIKey is LIUYMMIIJPJJSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NOS/c1-16(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)17/h3-10,17H,11H2,1-2H3/p+1.
What are the key properties of [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium?
[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium has a molecular weight of 260.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium is sourced from PubChem (CID 6947704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).