[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium

C23H23OSSi+ — CID 170676099

IUPAC[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium
SMILESC[Si](C)(O)C#CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23OSSi/c1-26(2,24)19-9-10-20-15-17-23(18-16-20)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,10H2,1-2H3/q+1
InChIKeyMEAZTULUWRWHCI-UHFFFAOYSA-N
MW375.59 g/mol
LogP5.06
Rot. Bonds4

About [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium

[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium (PubChem CID 170676099) has the molecular formula C23H23OSSi+ and a molecular weight of 375.59 g/mol. Its IUPAC name is [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium
PubChem CID170676099
Molecular FormulaC23H23OSSi+
Molecular Weight375.59 g/mol
Exact Mass375.12
IUPAC Name[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium
SMILESC[Si](C)(O)C#CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23OSSi/c1-26(2,24)19-9-10-20-15-17-23(18-16-20)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,10H2,1-2H3/q+1
InChIKeyMEAZTULUWRWHCI-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium 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

bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
bis(4-hexylphenyl)-phenylsulfanium
CID 157117757
[4-[[di(propan-2-yl)amino]methyl]phenyl]-diphenylsulfanium
CID 159071080
trimethyl-[3-[3-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl]silane
CID 11609100
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
diphenyl(2-trimethylsilylethynyl)sulfanium
CID 101247630
N-methyl-3-phenylprop-1-yn-1-amine
CID 163624738
3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane
CID 67306765
[4-(but-1-en-2-ylperoxymethyl)phenyl]-diphenylsulfanium
CID 22895712
4-phenylbut-2-ynoic acid
CID 22023702
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
benzyl-dihydroxy-methylsilane
CID 69074928

Frequently Asked Questions

What is the IUPAC name of [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium (CID 170676099) is [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium is C[Si](C)(O)C#CCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium?
The InChIKey is MEAZTULUWRWHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23OSSi/c1-26(2,24)19-9-10-20-15-17-23(18-16-20)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,10H2,1-2H3/q+1.
What are the key properties of [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium?
[4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium has a molecular weight of 375.59 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[hydroxy(dimethyl)silyl]prop-2-ynyl]phenyl]-diphenylsulfanium is sourced from PubChem (CID 170676099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).