tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane

C20H38S2Si2 — CID 91696527

IUPACtert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)SCc1ccc(CS[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H38S2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11-14H,15-16H2,1-10H3
InChIKeyIWZOWHZVIYFAFY-UHFFFAOYSA-N
MW398.83 g/mol
LogP8.16
Rot. Bonds6

About tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane (PubChem CID 91696527) has the molecular formula C20H38S2Si2 and a molecular weight of 398.83 g/mol. Its IUPAC name is tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane
PubChem CID91696527
Molecular FormulaC20H38S2Si2
Molecular Weight398.83 g/mol
Exact Mass398.20
IUPAC Nametert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)SCc1ccc(CS[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H38S2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11-14H,15-16H2,1-10H3
InChIKeyIWZOWHZVIYFAFY-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.83
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane (CID 91696527) is tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane is CC(C)(C)[Si](C)(C)SCc1ccc(CS[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane?
The InChIKey is IWZOWHZVIYFAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38S2Si2/c1-19(2,3)23(7,8)21-15-17-11-13-18(14-12-17)16-22-24(9,10)20(4,5)6/h11-14H,15-16H2,1-10H3.
What are the key properties of tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane?
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane has a molecular weight of 398.83 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]sulfanylmethyl]phenyl]methylsulfanyl]-dimethylsilane is sourced from PubChem (CID 91696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).