3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol

C18H24O2SSi — CID 23341375

IUPAC3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
SMILESC[Si](CCCS)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24O2SSi/c1-22(14-8-13-21,19-15-17-9-4-2-5-10-17)20-16-18-11-6-3-7-12-18/h2-7,9-12,21H,8,13-16H2,1H3
InChIKeyXOMGVWRTGVTPLD-UHFFFAOYSA-N
MW332.54 g/mol
LogP4.81
Rot. Bonds9

About 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol

3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol (PubChem CID 23341375) has the molecular formula C18H24O2SSi and a molecular weight of 332.54 g/mol. Its IUPAC name is 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
PubChem CID23341375
Molecular FormulaC18H24O2SSi
Molecular Weight332.54 g/mol
Exact Mass332.13
IUPAC Name3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol
SMILESC[Si](CCCS)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24O2SSi/c1-22(14-8-13-21,19-15-17-9-4-2-5-10-17)20-16-18-11-6-3-7-12-18/h2-7,9-12,21H,8,13-16H2,1H3
InChIKeyXOMGVWRTGVTPLD-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol 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

[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
benzyl triethyl silicate
CID 14245028
methoxymethylbenzene;vanadium
CID 167445376
pentyl-diphenyl-phenylmethoxysilane
CID 174977994
trimethyl(11-phenylmethoxyundecyl)silane
CID 20775242
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
3-[dichloro(phenyl)silyl]propane-1-thiol
CID 139647471
methoxy-phenyl-phenylmethoxy-propylsilane
CID 174912796
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol?
The IUPAC name of 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol (CID 23341375) is 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol.
What is the SMILES notation for 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol?
The canonical SMILES for 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol is C[Si](CCCS)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol?
The InChIKey is XOMGVWRTGVTPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2SSi/c1-22(14-8-13-21,19-15-17-9-4-2-5-10-17)20-16-18-11-6-3-7-12-18/h2-7,9-12,21H,8,13-16H2,1H3.
What are the key properties of 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol?
3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol has a molecular weight of 332.54 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis(phenylmethoxy)silyl]propane-1-thiol is sourced from PubChem (CID 23341375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).