2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium

C8H10O2PS+ — CID 123192052

IUPAC2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
SMILESO=[PH+]CCSc1ccccc1O
InChIInChI=1S/C8H9O2PS/c9-7-3-1-2-4-8(7)12-6-5-11-10/h1-4,9H,5-6H2/p+1
InChIKeyUYEYSVBBPCFFFT-UHFFFAOYSA-O
MW201.21 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium

2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium (PubChem CID 123192052) has the molecular formula C8H10O2PS+ and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
PubChem CID123192052
Molecular FormulaC8H10O2PS+
Molecular Weight201.21 g/mol
Exact Mass201.01
IUPAC Name2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
SMILESO=[PH+]CCSc1ccccc1O
InChIInChI=1S/C8H9O2PS/c9-7-3-1-2-4-8(7)12-6-5-11-10/h1-4,9H,5-6H2/p+1
InChIKeyUYEYSVBBPCFFFT-UHFFFAOYSA-O
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium 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

2-(2-phenylethylsulfanyl)phenol
CID 10823369
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-(4-aminobutylsulfanyl)phenol
CID 84667847
2-tetracosylsulfanylphenol
CID 139712021
1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
CID 71925035
N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
CID 71981298
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]phenol
CID 62000695
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
CID 103182103
2-[3-(dicyclohexylamino)propylsulfanyl]phenol;hydrochloride
CID 70617596
2-(triethylsilylmethylsulfanyl)phenol
CID 67587312
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium (CID 123192052) is 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium is O=[PH+]CCSc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium?
The InChIKey is UYEYSVBBPCFFFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9O2PS/c9-7-3-1-2-4-8(7)12-6-5-11-10/h1-4,9H,5-6H2/p+1.
What are the key properties of 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium?
2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium has a molecular weight of 201.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium is sourced from PubChem (CID 123192052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).