benzyl-methyl-(1-trimethylsilylethyl)sulfanium

C13H23SSi+ — CID 10452890

IUPACbenzyl-methyl-(1-trimethylsilylethyl)sulfanium
SMILESCC([S+](C)Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H23SSi/c1-12(15(3,4)5)14(2)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/q+1
InChIKeyATDRSNOKTDBHLE-UHFFFAOYSA-N
MW239.48 g/mol
LogP3.70
Rot. Bonds4

About benzyl-methyl-(1-trimethylsilylethyl)sulfanium

benzyl-methyl-(1-trimethylsilylethyl)sulfanium (PubChem CID 10452890) has the molecular formula C13H23SSi+ and a molecular weight of 239.48 g/mol. Its IUPAC name is benzyl-methyl-(1-trimethylsilylethyl)sulfanium.

Molecular Properties

Compound Namebenzyl-methyl-(1-trimethylsilylethyl)sulfanium
PubChem CID10452890
Molecular FormulaC13H23SSi+
Molecular Weight239.48 g/mol
Exact Mass239.13
IUPAC Namebenzyl-methyl-(1-trimethylsilylethyl)sulfanium
SMILESCC([S+](C)Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H23SSi/c1-12(15(3,4)5)14(2)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/q+1
InChIKeyATDRSNOKTDBHLE-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl(propan-2-yl)sulfanium;hexafluoroantimony(1-)
CID 19795276
2-phenyl-1-trimethylsilylethanethiol
CID 3849322
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
benzyl(diethyl)sulfanium chloride
CID 23454507
benzyl(diethyl)sulfanium hydroxide
CID 161058007
[dimethyl(1-phenylpropan-2-yl)silyl]oxy-dimethyl-(1-phenylpropan-2-yl)silane
CID 67683953
N-benzyl-N-methoxy-1-trimethylsilylethanamine
CID 174640771
ethane;2-methylpropylbenzene
CID 162200929
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
N-benzyl-3-methylbutan-1-imine
CID 11457986
(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
CID 10544593

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-(1-trimethylsilylethyl)sulfanium?
The IUPAC name of benzyl-methyl-(1-trimethylsilylethyl)sulfanium (CID 10452890) is benzyl-methyl-(1-trimethylsilylethyl)sulfanium.
What is the SMILES notation for benzyl-methyl-(1-trimethylsilylethyl)sulfanium?
The canonical SMILES for benzyl-methyl-(1-trimethylsilylethyl)sulfanium is CC([S+](C)Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of benzyl-methyl-(1-trimethylsilylethyl)sulfanium?
The InChIKey is ATDRSNOKTDBHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23SSi/c1-12(15(3,4)5)14(2)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/q+1.
What are the key properties of benzyl-methyl-(1-trimethylsilylethyl)sulfanium?
benzyl-methyl-(1-trimethylsilylethyl)sulfanium has a molecular weight of 239.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-(1-trimethylsilylethyl)sulfanium is sourced from PubChem (CID 10452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).