3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane

C14H19BrSSi — CID 132523966

IUPAC3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane
SMILESCCC(C#C[Si](C)(C)C)Sc1ccccc1Br
InChIInChI=1S/C14H19BrSSi/c1-5-12(10-11-17(2,3)4)16-14-9-7-6-8-13(14)15/h6-9,12H,5H2,1-4H3
InChIKeyXOJXDZKPFMYDQV-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.20
Rot. Bonds3

About 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane

3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane (PubChem CID 132523966) has the molecular formula C14H19BrSSi and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane
PubChem CID132523966
Molecular FormulaC14H19BrSSi
Molecular Weight327.36 g/mol
Exact Mass326.02
IUPAC Name3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane
SMILESCCC(C#C[Si](C)(C)C)Sc1ccccc1Br
InChIInChI=1S/C14H19BrSSi/c1-5-12(10-11-17(2,3)4)16-14-9-7-6-8-13(14)15/h6-9,12H,5H2,1-4H3
InChIKeyXOJXDZKPFMYDQV-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.20
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 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane 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 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane?
The IUPAC name of 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane (CID 132523966) is 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane is CCC(C#C[Si](C)(C)C)Sc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane?
The InChIKey is XOJXDZKPFMYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrSSi/c1-5-12(10-11-17(2,3)4)16-14-9-7-6-8-13(14)15/h6-9,12H,5H2,1-4H3.
What are the key properties of 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane?
3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane has a molecular weight of 327.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanylpent-1-ynyl-trimethylsilane is sourced from PubChem (CID 132523966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).