tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane

C18H34S2Si2 — CID 91697002

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Sc1ccc(S[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H34S2Si2/c1-17(2,3)21(7,8)19-15-11-13-16(14-12-15)20-22(9,10)18(4,5)6/h11-14H,1-10H3
InChIKeyZQKJHRAASGSRPE-UHFFFAOYSA-N
MW370.78 g/mol
LogP7.88
Rot. Bonds4

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane

tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane (PubChem CID 91697002) has the molecular formula C18H34S2Si2 and a molecular weight of 370.78 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane
PubChem CID91697002
Molecular FormulaC18H34S2Si2
Molecular Weight370.78 g/mol
Exact Mass370.16
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Sc1ccc(S[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H34S2Si2/c1-17(2,3)21(7,8)19-15-11-13-16(14-12-15)20-22(9,10)18(4,5)6/h11-14H,1-10H3
InChIKeyZQKJHRAASGSRPE-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 57.88
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]sulfanylphenyl]sulfanyl-dimethylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane (CID 91697002) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane is CC(C)(C)[Si](C)(C)Sc1ccc(S[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane?
The InChIKey is ZQKJHRAASGSRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34S2Si2/c1-17(2,3)21(7,8)19-15-11-13-16(14-12-15)20-22(9,10)18(4,5)6/h11-14H,1-10H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]sulfanylphenyl]sulfanyl-dimethylsilane has a molecular weight of 370.78 g/mol, XLogP of 7.88, 4 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]sulfanylphenyl]sulfanyl-dimethylsilane is sourced from PubChem (CID 91697002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).