2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane

C18H24OS2Si — CID 11739547

IUPAC2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H24OS2Si/c1-22(2,3)15-14-19-18(20-16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyDBOCWYHLFCLEEO-UHFFFAOYSA-N
MW348.61 g/mol
LogP6.21
Rot. Bonds8

About 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane

2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane (PubChem CID 11739547) has the molecular formula C18H24OS2Si and a molecular weight of 348.61 g/mol. Its IUPAC name is 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane
PubChem CID11739547
Molecular FormulaC18H24OS2Si
Molecular Weight348.61 g/mol
Exact Mass348.10
IUPAC Name2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H24OS2Si/c1-22(2,3)15-14-19-18(20-16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyDBOCWYHLFCLEEO-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.61
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
[(E)-1,2-bis[(4-fluorophenyl)sulfanyl]ethenyl]-trimethylsilane
CID 46196726
Dimethylbis[(phenylthio)methyl]silane
CID 10935621
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Trimethyl-[3-methyl-1,1-bis(phenylsulfanyl)butyl]silane
CID 13866121
Methyldiphenyl[(phenylthio)-methyl]silane
CID 15262880
Trimethyl[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane
CID 15855736
[Methoxy(phenylsulfanyl)methyl]sulfanylbenzene
CID 11139937
Silane, [methoxy(phenylthio)methyl]trimethyl-
CID 11790918
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864

Frequently Asked Questions

What is the IUPAC name of 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane (CID 11739547) is 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane?
The InChIKey is DBOCWYHLFCLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS2Si/c1-22(2,3)15-14-19-18(20-16-10-6-4-7-11-16)21-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3.
What are the key properties of 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane?
2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane has a molecular weight of 348.61 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11739547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).