1,1-bis(trimethylsilylsulfanyl)ethanol

C8H22OS2Si2 — CID 88707801

IUPAC1,1-bis(trimethylsilylsulfanyl)ethanol
SMILESCC(O)(S[Si](C)(C)C)S[Si](C)(C)C
InChIInChI=1S/C8H22OS2Si2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h9H,1-7H3
InChIKeyVLFZYFJCRKKGHI-UHFFFAOYSA-N
MW254.57 g/mol
LogP3.79
Rot. Bonds4

About 1,1-bis(trimethylsilylsulfanyl)ethanol

1,1-bis(trimethylsilylsulfanyl)ethanol (PubChem CID 88707801) has the molecular formula C8H22OS2Si2 and a molecular weight of 254.57 g/mol. Its IUPAC name is 1,1-bis(trimethylsilylsulfanyl)ethanol.

Molecular Properties

Compound Name1,1-bis(trimethylsilylsulfanyl)ethanol
PubChem CID88707801
Molecular FormulaC8H22OS2Si2
Molecular Weight254.57 g/mol
Exact Mass254.07
IUPAC Name1,1-bis(trimethylsilylsulfanyl)ethanol
SMILESCC(O)(S[Si](C)(C)C)S[Si](C)(C)C
InChIInChI=1S/C8H22OS2Si2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h9H,1-7H3
InChIKeyVLFZYFJCRKKGHI-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(trimethylsilylsulfanyl)ethanol?
The IUPAC name of 1,1-bis(trimethylsilylsulfanyl)ethanol (CID 88707801) is 1,1-bis(trimethylsilylsulfanyl)ethanol.
What is the SMILES notation for 1,1-bis(trimethylsilylsulfanyl)ethanol?
The canonical SMILES for 1,1-bis(trimethylsilylsulfanyl)ethanol is CC(O)(S[Si](C)(C)C)S[Si](C)(C)C.
What is the InChIKey of 1,1-bis(trimethylsilylsulfanyl)ethanol?
The InChIKey is VLFZYFJCRKKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22OS2Si2/c1-8(9,10-12(2,3)4)11-13(5,6)7/h9H,1-7H3.
What are the key properties of 1,1-bis(trimethylsilylsulfanyl)ethanol?
1,1-bis(trimethylsilylsulfanyl)ethanol has a molecular weight of 254.57 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(trimethylsilylsulfanyl)ethanol is sourced from PubChem (CID 88707801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).