benzylsulfanyl(trimethyl)silane

C10H16SSi — CID 561584

IUPACbenzylsulfanyl(trimethyl)silane
SMILESC[Si](C)(C)SCc1ccccc1
InChIInChI=1S/C10H16SSi/c1-12(2,3)11-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyOYAAGWGNCWJAHJ-UHFFFAOYSA-N
MW196.39 g/mol
LogP3.75
Rot. Bonds3

About benzylsulfanyl(trimethyl)silane

benzylsulfanyl(trimethyl)silane (PubChem CID 561584) has the molecular formula C10H16SSi and a molecular weight of 196.39 g/mol. Its IUPAC name is benzylsulfanyl(trimethyl)silane.

Molecular Properties

Compound Namebenzylsulfanyl(trimethyl)silane
PubChem CID561584
Molecular FormulaC10H16SSi
Molecular Weight196.39 g/mol
Exact Mass196.07
IUPAC Namebenzylsulfanyl(trimethyl)silane
SMILESC[Si](C)(C)SCc1ccccc1
InChIInChI=1S/C10H16SSi/c1-12(2,3)11-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyOYAAGWGNCWJAHJ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl(trimethyl)silane?
The IUPAC name of benzylsulfanyl(trimethyl)silane (CID 561584) is benzylsulfanyl(trimethyl)silane.
What is the SMILES notation for benzylsulfanyl(trimethyl)silane?
The canonical SMILES for benzylsulfanyl(trimethyl)silane is C[Si](C)(C)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl(trimethyl)silane?
The InChIKey is OYAAGWGNCWJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16SSi/c1-12(2,3)11-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of benzylsulfanyl(trimethyl)silane?
benzylsulfanyl(trimethyl)silane has a molecular weight of 196.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl(trimethyl)silane is sourced from PubChem (CID 561584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).