[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane

C11H16Cl2SSi — CID 12605864

IUPAC[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane
SMILESC[Si](C)(C)C(CCl)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H16Cl2SSi/c1-15(2,3)11(8-12)14-10-6-4-9(13)5-7-10/h4-7,11H,8H2,1-3H3
InChIKeyUFICPVVDFODIQY-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.92
Rot. Bonds4

About [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane

[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane (PubChem CID 12605864) has the molecular formula C11H16Cl2SSi and a molecular weight of 279.31 g/mol. Its IUPAC name is [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane
PubChem CID12605864
Molecular FormulaC11H16Cl2SSi
Molecular Weight279.31 g/mol
Exact Mass278.01
IUPAC Name[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane
SMILESC[Si](C)(C)C(CCl)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H16Cl2SSi/c1-15(2,3)11(8-12)14-10-6-4-9(13)5-7-10/h4-7,11H,8H2,1-3H3
InChIKeyUFICPVVDFODIQY-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 120867338
1-chloro-4-(1,2,2-trichloropropylsulfanyl)benzene
CID 13419823
1-chloro-4-(1-fluoro-2-methylbutyl)sulfanylbenzene;ethane
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1-chloro-4-ethylsulfanylbenzene
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(3R)-3-(4-chlorophenyl)sulfanylbutanoate
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Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane?
The IUPAC name of [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane (CID 12605864) is [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane.
What is the SMILES notation for [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane?
The canonical SMILES for [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane is C[Si](C)(C)C(CCl)Sc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane?
The InChIKey is UFICPVVDFODIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2SSi/c1-15(2,3)11(8-12)14-10-6-4-9(13)5-7-10/h4-7,11H,8H2,1-3H3.
What are the key properties of [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane?
[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane has a molecular weight of 279.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane is sourced from PubChem (CID 12605864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).