difluoro(trimethylsilyl)methanethiol

C4H10F2SSi — CID 22662119

IUPACdifluoro(trimethylsilyl)methanethiol
SMILESC[Si](C)(C)C(F)(F)S
InChIInChI=1S/C4H10F2SSi/c1-8(2,3)4(5,6)7/h7H,1-3H3
InChIKeyZLRRTONCCQLUTJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.39
Rot. Bonds1

About difluoro(trimethylsilyl)methanethiol

difluoro(trimethylsilyl)methanethiol (PubChem CID 22662119) has the molecular formula C4H10F2SSi and a molecular weight of 156.27 g/mol. Its IUPAC name is difluoro(trimethylsilyl)methanethiol.

Molecular Properties

Compound Namedifluoro(trimethylsilyl)methanethiol
PubChem CID22662119
Molecular FormulaC4H10F2SSi
Molecular Weight156.27 g/mol
Exact Mass156.02
IUPAC Namedifluoro(trimethylsilyl)methanethiol
SMILESC[Si](C)(C)C(F)(F)S
InChIInChI=1S/C4H10F2SSi/c1-8(2,3)4(5,6)7/h7H,1-3H3
InChIKeyZLRRTONCCQLUTJ-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(trimethylsilyl)methanethiol?
The IUPAC name of difluoro(trimethylsilyl)methanethiol (CID 22662119) is difluoro(trimethylsilyl)methanethiol.
What is the SMILES notation for difluoro(trimethylsilyl)methanethiol?
The canonical SMILES for difluoro(trimethylsilyl)methanethiol is C[Si](C)(C)C(F)(F)S.
What is the InChIKey of difluoro(trimethylsilyl)methanethiol?
The InChIKey is ZLRRTONCCQLUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2SSi/c1-8(2,3)4(5,6)7/h7H,1-3H3.
What are the key properties of difluoro(trimethylsilyl)methanethiol?
difluoro(trimethylsilyl)methanethiol has a molecular weight of 156.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(trimethylsilyl)methanethiol is sourced from PubChem (CID 22662119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).