2-(triethylsilylmethylsulfanyl)phenol

C13H22OSSi — CID 67587312

IUPAC2-(triethylsilylmethylsulfanyl)phenol
SMILESCC[Si](CC)(CC)CSc1ccccc1O
InChIInChI=1S/C13H22OSSi/c1-4-16(5-2,6-3)11-15-13-10-8-7-9-12(13)14/h7-10,14H,4-6,11H2,1-3H3
InChIKeyKEPDVPLZEZRLDF-UHFFFAOYSA-N
MW254.47 g/mol
LogP4.53
Rot. Bonds6

About 2-(triethylsilylmethylsulfanyl)phenol

2-(triethylsilylmethylsulfanyl)phenol (PubChem CID 67587312) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is 2-(triethylsilylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(triethylsilylmethylsulfanyl)phenol
PubChem CID67587312
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Name2-(triethylsilylmethylsulfanyl)phenol
SMILESCC[Si](CC)(CC)CSc1ccccc1O
InChIInChI=1S/C13H22OSSi/c1-4-16(5-2,6-3)11-15-13-10-8-7-9-12(13)14/h7-10,14H,4-6,11H2,1-3H3
InChIKeyKEPDVPLZEZRLDF-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(triethylsilylmethylsulfanyl)phenol 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

ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol
CID 67801086
2-tetracosylsulfanylphenol
CID 139712021
2-(triethylsilylmethyl)phenol
CID 174733436
2-[(2-hydroxyphenyl)sulfanyl-dimethylstannyl]sulfanylphenol
CID 139686325
2-ethoxysulfanylphenol
CID 20674240
2-(2-phenylethylsulfanyl)phenol
CID 10823369
2-hept-2-enylsulfanylphenol
CID 54274427
2-(quinolin-4-ylmethylsulfanyl)phenol
CID 79240202
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-(3-methylquinoxalin-2-yl)sulfanylphenol
CID 55067487
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-(4-aminobutylsulfanyl)phenol
CID 84667847

Frequently Asked Questions

What is the IUPAC name of 2-(triethylsilylmethylsulfanyl)phenol?
The IUPAC name of 2-(triethylsilylmethylsulfanyl)phenol (CID 67587312) is 2-(triethylsilylmethylsulfanyl)phenol.
What is the SMILES notation for 2-(triethylsilylmethylsulfanyl)phenol?
The canonical SMILES for 2-(triethylsilylmethylsulfanyl)phenol is CC[Si](CC)(CC)CSc1ccccc1O.
What is the InChIKey of 2-(triethylsilylmethylsulfanyl)phenol?
The InChIKey is KEPDVPLZEZRLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-4-16(5-2,6-3)11-15-13-10-8-7-9-12(13)14/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of 2-(triethylsilylmethylsulfanyl)phenol?
2-(triethylsilylmethylsulfanyl)phenol has a molecular weight of 254.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triethylsilylmethylsulfanyl)phenol is sourced from PubChem (CID 67587312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).