2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane

C22H24S2Si — CID 11079444

IUPAC2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane
SMILESC[Si](C)(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24S2Si/c1-25(2,21-16-10-5-11-17-21)18-22(23-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3
InChIKeyUHMFEWCNYVOXSH-UHFFFAOYSA-N
MW380.65 g/mol
LogP6.51
Rot. Bonds7

About 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane

2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane (PubChem CID 11079444) has the molecular formula C22H24S2Si and a molecular weight of 380.65 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane
PubChem CID11079444
Molecular FormulaC22H24S2Si
Molecular Weight380.65 g/mol
Exact Mass380.11
IUPAC Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane
SMILESC[Si](C)(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24S2Si/c1-25(2,21-16-10-5-11-17-21)18-22(23-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3
InChIKeyUHMFEWCNYVOXSH-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Phosphine, tris(p-methylthiophenyl)-
CID 207408
Tris(phenylthio)methane
CID 615706
Phosphine, tris(2-(methylthio)phenyl)-
CID 398155
Triphenylsulfonium
CID 61344
10,10-Dimethylphenothiasilin
CID 143807
1,4-Bis(phenylthio)-2-butene
CID 5373859
Benzene, 1,1'-[butylidenebis(thio)]bis-
CID 10989463
[1-(Phenylthio)ethylthio]benzene
CID 11053951
1,1,3-Tris(phenylthio)-1-propene
CID 4048974
Tetrakis(phenylthiomethyl)silane
CID 4525055
((1,3-Bis(phenylthio)propyl)thio)benzene
CID 321322
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane?
The IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane (CID 11079444) is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane is C[Si](C)(CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane?
The InChIKey is UHMFEWCNYVOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24S2Si/c1-25(2,21-16-10-5-11-17-21)18-22(23-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17,22H,18H2,1-2H3.
What are the key properties of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane?
2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane has a molecular weight of 380.65 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane is sourced from PubChem (CID 11079444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).