2-benzylsulfanylethyl(trifluoro)silane

C9H11F3SSi — CID 71331448

IUPAC2-benzylsulfanylethyl(trifluoro)silane
SMILESF[Si](F)(F)CCSCc1ccccc1
InChIInChI=1S/C9H11F3SSi/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyWSOGTGGDPPMHNW-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.77
Rot. Bonds5

About 2-benzylsulfanylethyl(trifluoro)silane

2-benzylsulfanylethyl(trifluoro)silane (PubChem CID 71331448) has the molecular formula C9H11F3SSi and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-benzylsulfanylethyl(trifluoro)silane.

Molecular Properties

Compound Name2-benzylsulfanylethyl(trifluoro)silane
PubChem CID71331448
Molecular FormulaC9H11F3SSi
Molecular Weight236.33 g/mol
Exact Mass236.03
IUPAC Name2-benzylsulfanylethyl(trifluoro)silane
SMILESF[Si](F)(F)CCSCc1ccccc1
InChIInChI=1S/C9H11F3SSi/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyWSOGTGGDPPMHNW-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethylsulfanylmethylbenzene
CID 15639805
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
3,3,4,4,4-pentafluorobutylsulfanylmethylbenzene
CID 13459532
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
2,4,6-tris(2-benzylsulfanylethoxy)-1,3,5-triazine
CID 139880663
3-(2-benzylsulfanylethyl)azetidine
CID 107391888
iodomethylsulfanylmethylbenzene
CID 12664832
4-benzylsulfanylbutylsulfanylbenzene
CID 10803322
4-(2-benzylsulfanylethyl)phenol
CID 160730782
N-(2-benzylsulfanylethyldiazenyl)aniline
CID 14447318

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylethyl(trifluoro)silane?
The IUPAC name of 2-benzylsulfanylethyl(trifluoro)silane (CID 71331448) is 2-benzylsulfanylethyl(trifluoro)silane.
What is the SMILES notation for 2-benzylsulfanylethyl(trifluoro)silane?
The canonical SMILES for 2-benzylsulfanylethyl(trifluoro)silane is F[Si](F)(F)CCSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylethyl(trifluoro)silane?
The InChIKey is WSOGTGGDPPMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3SSi/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-benzylsulfanylethyl(trifluoro)silane?
2-benzylsulfanylethyl(trifluoro)silane has a molecular weight of 236.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylethyl(trifluoro)silane is sourced from PubChem (CID 71331448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).