chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane

C18H18Cl2SSi2 — CID 101107182

IUPACchloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane
SMILESC[Si](Cl)(c1ccccc1)c1ccc([Si](C)(Cl)c2ccccc2)s1
InChIInChI=1S/C18H18Cl2SSi2/c1-22(19,15-9-5-3-6-10-15)17-13-14-18(21-17)23(2,20)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyREPBNHJXMXVKOD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.60
Rot. Bonds4

About chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane

chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane (PubChem CID 101107182) has the molecular formula C18H18Cl2SSi2 and a molecular weight of 393.49 g/mol. Its IUPAC name is chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane.

Molecular Properties

Compound Namechloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane
PubChem CID101107182
Molecular FormulaC18H18Cl2SSi2
Molecular Weight393.49 g/mol
Exact Mass392.00
IUPAC Namechloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane
SMILESC[Si](Cl)(c1ccccc1)c1ccc([Si](C)(Cl)c2ccccc2)s1
InChIInChI=1S/C18H18Cl2SSi2/c1-22(19,15-9-5-3-6-10-15)17-13-14-18(21-17)23(2,20)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyREPBNHJXMXVKOD-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane?
The IUPAC name of chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane (CID 101107182) is chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane.
What is the SMILES notation for chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane?
The canonical SMILES for chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane is C[Si](Cl)(c1ccccc1)c1ccc([Si](C)(Cl)c2ccccc2)s1.
What is the InChIKey of chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane?
The InChIKey is REPBNHJXMXVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2SSi2/c1-22(19,15-9-5-3-6-10-15)17-13-14-18(21-17)23(2,20)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane?
chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane has a molecular weight of 393.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane is sourced from PubChem (CID 101107182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).