chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane

C18H17ClSSi — CID 57292962

IUPACchloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane
SMILESC[Si](CCl)(c1ccc(-c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H17ClSSi/c1-21(14-19,18-8-5-13-20-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeyKOWUJAOKCHADDT-UHFFFAOYSA-N
MW328.94 g/mol
LogP4.39
Rot. Bonds4

About chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane

chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane (PubChem CID 57292962) has the molecular formula C18H17ClSSi and a molecular weight of 328.94 g/mol. Its IUPAC name is chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane.

Molecular Properties

Compound Namechloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane
PubChem CID57292962
Molecular FormulaC18H17ClSSi
Molecular Weight328.94 g/mol
Exact Mass328.05
IUPAC Namechloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane
SMILESC[Si](CCl)(c1ccc(-c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H17ClSSi/c1-21(14-19,18-8-5-13-20-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeyKOWUJAOKCHADDT-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.94
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane?
The IUPAC name of chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane (CID 57292962) is chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane.
What is the SMILES notation for chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane?
The canonical SMILES for chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane is C[Si](CCl)(c1ccc(-c2ccccc2)cc1)c1cccs1.
What is the InChIKey of chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane?
The InChIKey is KOWUJAOKCHADDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClSSi/c1-21(14-19,18-8-5-13-20-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,14H2,1H3.
What are the key properties of chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane?
chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane has a molecular weight of 328.94 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-methyl-(4-phenylphenyl)-thiophen-2-ylsilane is sourced from PubChem (CID 57292962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).