2-dimethylsilylethyl thiocyanate

C5H11NSSi — CID 123532574

IUPAC2-dimethylsilylethyl thiocyanate
SMILESC[SiH](C)CCSC#N
InChIInChI=1S/C5H11NSSi/c1-8(2)4-3-7-5-6/h8H,3-4H2,1-2H3
InChIKeyUTGBPRLXNJJFLW-UHFFFAOYSA-N
MW145.30 g/mol
LogP1.69
Rot. Bonds3

About 2-dimethylsilylethyl thiocyanate

2-dimethylsilylethyl thiocyanate (PubChem CID 123532574) has the molecular formula C5H11NSSi and a molecular weight of 145.30 g/mol. Its IUPAC name is 2-dimethylsilylethyl thiocyanate.

Molecular Properties

Compound Name2-dimethylsilylethyl thiocyanate
PubChem CID123532574
Molecular FormulaC5H11NSSi
Molecular Weight145.30 g/mol
Exact Mass145.04
IUPAC Name2-dimethylsilylethyl thiocyanate
SMILESC[SiH](C)CCSC#N
InChIInChI=1S/C5H11NSSi/c1-8(2)4-3-7-5-6/h8H,3-4H2,1-2H3
InChIKeyUTGBPRLXNJJFLW-UHFFFAOYSA-N
XLogP1.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilylethyl thiocyanate?
The IUPAC name of 2-dimethylsilylethyl thiocyanate (CID 123532574) is 2-dimethylsilylethyl thiocyanate.
What is the SMILES notation for 2-dimethylsilylethyl thiocyanate?
The canonical SMILES for 2-dimethylsilylethyl thiocyanate is C[SiH](C)CCSC#N.
What is the InChIKey of 2-dimethylsilylethyl thiocyanate?
The InChIKey is UTGBPRLXNJJFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NSSi/c1-8(2)4-3-7-5-6/h8H,3-4H2,1-2H3.
What are the key properties of 2-dimethylsilylethyl thiocyanate?
2-dimethylsilylethyl thiocyanate has a molecular weight of 145.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylethyl thiocyanate is sourced from PubChem (CID 123532574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).