tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane

C20H30S2Si2 — CID 11146477

IUPACtert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
SMILESCC(C)(C)[Si](S)(c1ccccc1)[Si](S)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H30S2Si2/c1-19(2,3)23(21,17-13-9-7-10-14-17)24(22,20(4,5)6)18-15-11-8-12-16-18/h7-16,21-22H,1-6H3
InChIKeyDDJXZKIEEPCPLC-UHFFFAOYSA-N
MW390.77 g/mol
LogP5.23
Rot. Bonds3

About tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane

tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane (PubChem CID 11146477) has the molecular formula C20H30S2Si2 and a molecular weight of 390.77 g/mol. Its IUPAC name is tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane.

Molecular Properties

Compound Nametert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
PubChem CID11146477
Molecular FormulaC20H30S2Si2
Molecular Weight390.77 g/mol
Exact Mass390.13
IUPAC Nametert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
SMILESCC(C)(C)[Si](S)(c1ccccc1)[Si](S)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H30S2Si2/c1-19(2,3)23(21,17-13-9-7-10-14-17)24(22,20(4,5)6)18-15-11-8-12-16-18/h7-16,21-22H,1-6H3
InChIKeyDDJXZKIEEPCPLC-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.77
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(amino-tert-butyl-phenylsilyl)benzene
CID 14007717
diphenyl-bis(sulfanyl)silane
CID 101089358
potassium ditert-butyl-oxido-phenylsilane
CID 101338176
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
tert-butyl-(4-methylphenyl)-diphenylsilane
CID 140525033
1,1-bis(triphenylsilyl)ethanamine
CID 174310291
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
N-(tert-butyl-fluoro-phenylsilyl)methanamine
CID 12605454
chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
CID 54497975
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane?
The IUPAC name of tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane (CID 11146477) is tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane.
What is the SMILES notation for tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane?
The canonical SMILES for tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane is CC(C)(C)[Si](S)(c1ccccc1)[Si](S)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane?
The InChIKey is DDJXZKIEEPCPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S2Si2/c1-19(2,3)23(21,17-13-9-7-10-14-17)24(22,20(4,5)6)18-15-11-8-12-16-18/h7-16,21-22H,1-6H3.
What are the key properties of tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane?
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane has a molecular weight of 390.77 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane is sourced from PubChem (CID 11146477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).