2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane

C9H12SSi — CID 173118169

IUPAC2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane
SMILESCc1sc(C)c(C#C[SiH3])c1C
InChIInChI=1S/C9H12SSi/c1-6-7(2)10-8(3)9(6)4-5-11/h1-3,11H3
InChIKeyIILULLMHHQBJDP-UHFFFAOYSA-N
MW180.35 g/mol
LogP1.35
Rot. Bonds

About 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane

2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane (PubChem CID 173118169) has the molecular formula C9H12SSi and a molecular weight of 180.35 g/mol. Its IUPAC name is 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane.

Molecular Properties

Compound Name2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane
PubChem CID173118169
Molecular FormulaC9H12SSi
Molecular Weight180.35 g/mol
Exact Mass180.04
IUPAC Name2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane
SMILESCc1sc(C)c(C#C[SiH3])c1C
InChIInChI=1S/C9H12SSi/c1-6-7(2)10-8(3)9(6)4-5-11/h1-3,11H3
InChIKeyIILULLMHHQBJDP-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane 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 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane?
The IUPAC name of 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane (CID 173118169) is 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane.
What is the SMILES notation for 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane?
The canonical SMILES for 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane is Cc1sc(C)c(C#C[SiH3])c1C.
What is the InChIKey of 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane?
The InChIKey is IILULLMHHQBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12SSi/c1-6-7(2)10-8(3)9(6)4-5-11/h1-3,11H3.
What are the key properties of 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane?
2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane has a molecular weight of 180.35 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethylthiophen-3-yl)ethynylsilane is sourced from PubChem (CID 173118169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).