3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione

C16H28OS3Si2 — CID 161255063

IUPAC3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione
SMILESCC(SC(=S)SCCC[Si](C)(C)O[SiH](C)C)c1ccccc1
InChIInChI=1S/C16H28OS3Si2/c1-14(15-10-7-6-8-11-15)20-16(18)19-12-9-13-22(4,5)17-21(2)3/h6-8,10-11,14,21H,9,12-13H2,1-5H3
InChIKeyIUHVCWDMMPYRGF-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.09
Rot. Bonds8

About 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione

3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione (PubChem CID 161255063) has the molecular formula C16H28OS3Si2 and a molecular weight of 388.77 g/mol. Its IUPAC name is 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione.

Molecular Properties

Compound Name3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione
PubChem CID161255063
Molecular FormulaC16H28OS3Si2
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione
SMILESCC(SC(=S)SCCC[Si](C)(C)O[SiH](C)C)c1ccccc1
InChIInChI=1S/C16H28OS3Si2/c1-14(15-10-7-6-8-11-15)20-16(18)19-12-9-13-22(4,5)17-21(2)3/h6-8,10-11,14,21H,9,12-13H2,1-5H3
InChIKeyIUHVCWDMMPYRGF-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butylsulfanyl(1-phenylethylsulfanyl)methanethione
CID 87857320
butylsulfanyl-[[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethyl]sulfanylmethanethione
CID 146036428
[(1R)-1-phenylethyl] N,N-diethylcarbamodithioate
CID 150585261
S-[3-[ethoxy(dimethyl)silyl]propyl] benzenecarbothioate
CID 59365618
1-phenylethyl pyrazole-1-carbodithioate
CID 86086367
[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
CID 70086946
S-(1-phenylethyl) 2-oxopropanethioate
CID 88562962
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
4-phenylnonane-2-thione
CID 23365648
dimethylsilyloxy-[6-[dimethyl(trimethylsilyloxy)silyl]hexyl]-dimethylsilane
CID 173480533
butyl benzenecarbodithioate
CID 578502
octyl 3,3-diphenylprop-2-enedithioate
CID 102189607

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione?
The IUPAC name of 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione (CID 161255063) is 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione.
What is the SMILES notation for 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione?
The canonical SMILES for 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione is CC(SC(=S)SCCC[Si](C)(C)O[SiH](C)C)c1ccccc1.
What is the InChIKey of 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione?
The InChIKey is IUHVCWDMMPYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OS3Si2/c1-14(15-10-7-6-8-11-15)20-16(18)19-12-9-13-22(4,5)17-21(2)3/h6-8,10-11,14,21H,9,12-13H2,1-5H3.
What are the key properties of 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione?
3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione has a molecular weight of 388.77 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsilyloxy(dimethyl)silyl]propylsulfanyl-(1-phenylethylsulfanyl)methanethione is sourced from PubChem (CID 161255063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).