[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane

C18H24SSi — CID 103438735

IUPAC[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESCc1ccc(SCc2ccc([Si](C)(C)C)cc2)c(C)c1
InChIInChI=1S/C18H24SSi/c1-14-6-11-18(15(2)12-14)19-13-16-7-9-17(10-8-16)20(3,4)5/h6-12H,13H2,1-5H3
InChIKeyFLUIWSGDZOAJGB-UHFFFAOYSA-N
MW300.54 g/mol
LogP5.14
Rot. Bonds4

About [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane

[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane (PubChem CID 103438735) has the molecular formula C18H24SSi and a molecular weight of 300.54 g/mol. Its IUPAC name is [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
PubChem CID103438735
Molecular FormulaC18H24SSi
Molecular Weight300.54 g/mol
Exact Mass300.14
IUPAC Name[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESCc1ccc(SCc2ccc([Si](C)(C)C)cc2)c(C)c1
InChIInChI=1S/C18H24SSi/c1-14-6-11-18(15(2)12-14)19-13-16-7-9-17(10-8-16)20(3,4)5/h6-12H,13H2,1-5H3
InChIKeyFLUIWSGDZOAJGB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.54
LogP ≤ 55.14
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

2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438769
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63484975
3-[(2,4-dimethylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901063
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232
2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
CID 64619551
5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 112655209
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine
CID 103055013
4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
CID 79244809
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
2-[(4-fluorophenyl)methylsulfanyl]-5-methylaniline
CID 43302719

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane (CID 103438735) is [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane is Cc1ccc(SCc2ccc([Si](C)(C)C)cc2)c(C)c1.
What is the InChIKey of [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane?
The InChIKey is FLUIWSGDZOAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24SSi/c1-14-6-11-18(15(2)12-14)19-13-16-7-9-17(10-8-16)20(3,4)5/h6-12H,13H2,1-5H3.
What are the key properties of [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane?
[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane has a molecular weight of 300.54 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).