trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane

C12H20SSi — CID 101109781

IUPACtrimethyl-[2-(4-methylphenyl)sulfanylethyl]silane
SMILESCc1ccc(SCC[Si](C)(C)C)cc1
InChIInChI=1S/C12H20SSi/c1-11-5-7-12(8-6-11)13-9-10-14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyWVSJOXMDQVJRGK-UHFFFAOYSA-N
MW224.44 g/mol
LogP4.43
Rot. Bonds4

About trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane

trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane (PubChem CID 101109781) has the molecular formula C12H20SSi and a molecular weight of 224.44 g/mol. Its IUPAC name is trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methylphenyl)sulfanylethyl]silane
PubChem CID101109781
Molecular FormulaC12H20SSi
Molecular Weight224.44 g/mol
Exact Mass224.11
IUPAC Nametrimethyl-[2-(4-methylphenyl)sulfanylethyl]silane
SMILESCc1ccc(SCC[Si](C)(C)C)cc1
InChIInChI=1S/C12H20SSi/c1-11-5-7-12(8-6-11)13-9-10-14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyWVSJOXMDQVJRGK-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1-methyl-4-(methylthio)-
CID 69334
Mecaptid
CID 168679
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
4-(Ethylthio)toluene
CID 136431
p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
p-Tolyl ethyl sulfoxide
CID 138738
Benzene, 1-(ethylthio)-3-methyl-
CID 141922
Butyl p-tolyl sulfide
CID 304040
Chloromethyl p-Tolyl Sulfide
CID 1502059
Propyl P-tolyl sulfide
CID 597180
4-(Methylsulfanyl)benzyl methyl sulfide
CID 66920637

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane?
The IUPAC name of trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane (CID 101109781) is trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane.
What is the SMILES notation for trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane?
The canonical SMILES for trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane is Cc1ccc(SCC[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane?
The InChIKey is WVSJOXMDQVJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20SSi/c1-11-5-7-12(8-6-11)13-9-10-14(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane?
trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane has a molecular weight of 224.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methylphenyl)sulfanylethyl]silane is sourced from PubChem (CID 101109781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).