trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane

C17H22OSSi — CID 85436146

IUPACtrimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
SMILESCc1ccc(S(=O)c2ccccc2C[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSSi/c1-14-9-11-16(12-10-14)19(18)17-8-6-5-7-15(17)13-20(2,3)4/h5-12H,13H2,1-4H3
InChIKeyASEHFWNNQYROFW-UHFFFAOYSA-N
MW302.52 g/mol
LogP4.58
Rot. Bonds4

About trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane

trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane (PubChem CID 85436146) has the molecular formula C17H22OSSi and a molecular weight of 302.52 g/mol. Its IUPAC name is trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
PubChem CID85436146
Molecular FormulaC17H22OSSi
Molecular Weight302.52 g/mol
Exact Mass302.12
IUPAC Nametrimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
SMILESCc1ccc(S(=O)c2ccccc2C[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSSi/c1-14-9-11-16(12-10-14)19(18)17-8-6-5-7-15(17)13-20(2,3)4/h5-12H,13H2,1-4H3
InChIKeyASEHFWNNQYROFW-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 54.58
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

1-(4-methylphenyl)sulfinyl-2-propylbenzene
CID 85436148
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
(3R)-2-iodo-3-[[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]methyl]pent-1-en-3-ol
CID 42624545
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
(2S)-2-deuterio-2-[2-(4-methylphenyl)sulfinylphenyl]oxirane
CID 102030626
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559
(2S,3S)-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-2-phenyloxirane
CID 139038697
4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
CID 11991480
1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
CID 165348232
(3S)-2-methyl-3-[2-(4-methylphenyl)sulfinylphenyl]butan-2-ol
CID 101071114

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane?
The IUPAC name of trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane (CID 85436146) is trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane.
What is the SMILES notation for trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane?
The canonical SMILES for trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane is Cc1ccc(S(=O)c2ccccc2C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane?
The InChIKey is ASEHFWNNQYROFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSSi/c1-14-9-11-16(12-10-14)19(18)17-8-6-5-7-15(17)13-20(2,3)4/h5-12H,13H2,1-4H3.
What are the key properties of trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane?
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane has a molecular weight of 302.52 g/mol, XLogP of 4.58, 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)sulfinylphenyl]methyl]silane is sourced from PubChem (CID 85436146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).