dichloro-methyl-thiophen-2-ylsilane

C5H6Cl2SSi — CID 13027532

IUPACdichloro-methyl-thiophen-2-ylsilane
SMILESC[Si](Cl)(Cl)c1cccs1
InChIInChI=1S/C5H6Cl2SSi/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3
InChIKeyKQXGAPJWAMOGFO-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.50
Rot. Bonds1

About dichloro-methyl-thiophen-2-ylsilane

dichloro-methyl-thiophen-2-ylsilane (PubChem CID 13027532) has the molecular formula C5H6Cl2SSi and a molecular weight of 197.16 g/mol. Its IUPAC name is dichloro-methyl-thiophen-2-ylsilane.

Molecular Properties

Compound Namedichloro-methyl-thiophen-2-ylsilane
PubChem CID13027532
Molecular FormulaC5H6Cl2SSi
Molecular Weight197.16 g/mol
Exact Mass195.93
IUPAC Namedichloro-methyl-thiophen-2-ylsilane
SMILESC[Si](Cl)(Cl)c1cccs1
InChIInChI=1S/C5H6Cl2SSi/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3
InChIKeyKQXGAPJWAMOGFO-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.50
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'}

Analyze dichloro-methyl-thiophen-2-ylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-thiophen-2-ylsilane?
The IUPAC name of dichloro-methyl-thiophen-2-ylsilane (CID 13027532) is dichloro-methyl-thiophen-2-ylsilane.
What is the SMILES notation for dichloro-methyl-thiophen-2-ylsilane?
The canonical SMILES for dichloro-methyl-thiophen-2-ylsilane is C[Si](Cl)(Cl)c1cccs1.
What is the InChIKey of dichloro-methyl-thiophen-2-ylsilane?
The InChIKey is KQXGAPJWAMOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2SSi/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3.
What are the key properties of dichloro-methyl-thiophen-2-ylsilane?
dichloro-methyl-thiophen-2-ylsilane has a molecular weight of 197.16 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-thiophen-2-ylsilane is sourced from PubChem (CID 13027532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).