S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate

C10H22O2S2Si2 — CID 125479359

IUPACS-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate
SMILESCC(=O)SC[Si](C)(C)[Si](C)(C)CSC(C)=O
InChIInChI=1S/C10H22O2S2Si2/c1-9(11)13-7-15(3,4)16(5,6)8-14-10(2)12/h7-8H2,1-6H3
InChIKeyZVSOMINKCTVXPA-UHFFFAOYSA-N
MW294.59 g/mol
LogP3.12
Rot. Bonds5

About S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate

S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate (PubChem CID 125479359) has the molecular formula C10H22O2S2Si2 and a molecular weight of 294.59 g/mol. Its IUPAC name is S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate.

Molecular Properties

Compound NameS-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate
PubChem CID125479359
Molecular FormulaC10H22O2S2Si2
Molecular Weight294.59 g/mol
Exact Mass294.06
IUPAC NameS-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate
SMILESCC(=O)SC[Si](C)(C)[Si](C)(C)CSC(C)=O
InChIInChI=1S/C10H22O2S2Si2/c1-9(11)13-7-15(3,4)16(5,6)8-14-10(2)12/h7-8H2,1-6H3
InChIKeyZVSOMINKCTVXPA-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate?
The IUPAC name of S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate (CID 125479359) is S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate.
What is the SMILES notation for S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate?
The canonical SMILES for S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate is CC(=O)SC[Si](C)(C)[Si](C)(C)CSC(C)=O.
What is the InChIKey of S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate?
The InChIKey is ZVSOMINKCTVXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S2Si2/c1-9(11)13-7-15(3,4)16(5,6)8-14-10(2)12/h7-8H2,1-6H3.
What are the key properties of S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate?
S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate has a molecular weight of 294.59 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate is sourced from PubChem (CID 125479359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).