2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane

C17H17ClS2Si — CID 132916377

IUPAC2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CSc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClS2Si/c1-21(2,3)13-12-19-16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11H,1-3H3
InChIKeyWDRXZPBEHDULHM-UHFFFAOYSA-N
MW349.00 g/mol
LogP6.42
Rot. Bonds3

About 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane

2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane (PubChem CID 132916377) has the molecular formula C17H17ClS2Si and a molecular weight of 349.00 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane
PubChem CID132916377
Molecular FormulaC17H17ClS2Si
Molecular Weight349.00 g/mol
Exact Mass348.02
IUPAC Name2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CSc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClS2Si/c1-21(2,3)13-12-19-16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11H,1-3H3
InChIKeyWDRXZPBEHDULHM-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.00
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane (CID 132916377) is 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane is C[Si](C)(C)C#CSc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane?
The InChIKey is WDRXZPBEHDULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClS2Si/c1-21(2,3)13-12-19-16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11H,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane?
2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane has a molecular weight of 349.00 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanylphenyl]sulfanylethynyl-trimethylsilane is sourced from PubChem (CID 132916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).