methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane

C22H24OSSi — CID 86175812

IUPACmethyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane
SMILESCc1ccc(S(=O)CC[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3
InChIKeyCYHBHGGDBRWSTJ-UHFFFAOYSA-N
MW364.59 g/mol
LogP4.00
Rot. Bonds6

About methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane

methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane (PubChem CID 86175812) has the molecular formula C22H24OSSi and a molecular weight of 364.59 g/mol. Its IUPAC name is methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane.

Molecular Properties

Compound Namemethyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane
PubChem CID86175812
Molecular FormulaC22H24OSSi
Molecular Weight364.59 g/mol
Exact Mass364.13
IUPAC Namemethyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane
SMILESCc1ccc(S(=O)CC[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3
InChIKeyCYHBHGGDBRWSTJ-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 54.00
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 methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane?
The IUPAC name of methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane (CID 86175812) is methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane.
What is the SMILES notation for methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane?
The canonical SMILES for methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane is Cc1ccc(S(=O)CC[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane?
The InChIKey is CYHBHGGDBRWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3.
What are the key properties of methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane?
methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane has a molecular weight of 364.59 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-methylphenyl)sulfinylethyl]-diphenylsilane is sourced from PubChem (CID 86175812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).