2,2-bis(phenylsulfanyl)ethyl-trimethylsilane

C17H22S2Si — CID 11130962

IUPAC2,2-bis(phenylsulfanyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H22S2Si/c1-20(2,3)14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyQGOIGRBYZUIGDA-UHFFFAOYSA-N
MW318.58 g/mol
LogP6.24
Rot. Bonds6

About 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane

2,2-bis(phenylsulfanyl)ethyl-trimethylsilane (PubChem CID 11130962) has the molecular formula C17H22S2Si and a molecular weight of 318.58 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)ethyl-trimethylsilane
PubChem CID11130962
Molecular FormulaC17H22S2Si
Molecular Weight318.58 g/mol
Exact Mass318.09
IUPAC Name2,2-bis(phenylsulfanyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H22S2Si/c1-20(2,3)14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyQGOIGRBYZUIGDA-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.24
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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane?
The IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane (CID 11130962) is 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane is C[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane?
The InChIKey is QGOIGRBYZUIGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22S2Si/c1-20(2,3)14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of 2,2-bis(phenylsulfanyl)ethyl-trimethylsilane?
2,2-bis(phenylsulfanyl)ethyl-trimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.24, 6 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-trimethylsilane is sourced from PubChem (CID 11130962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).