2-chloroethyl-(trimethyl-λ4-sulfanyl)silane

C5H15ClSSi — CID 152757302

IUPAC2-chloroethyl-(trimethyl-λ4-sulfanyl)silane
SMILESCS(C)(C)[SiH2]CCCl
InChIInChI=1S/C5H15ClSSi/c1-7(2,3)8-5-4-6/h4-5,8H2,1-3H3
InChIKeyBKNIYSUVCQFRRT-UHFFFAOYSA-N
MW170.78 g/mol
LogP1.42
Rot. Bonds3

About 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane

2-chloroethyl-(trimethyl-λ4-sulfanyl)silane (PubChem CID 152757302) has the molecular formula C5H15ClSSi and a molecular weight of 170.78 g/mol. Its IUPAC name is 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane.

Molecular Properties

Compound Name2-chloroethyl-(trimethyl-λ4-sulfanyl)silane
PubChem CID152757302
Molecular FormulaC5H15ClSSi
Molecular Weight170.78 g/mol
Exact Mass170.04
IUPAC Name2-chloroethyl-(trimethyl-λ4-sulfanyl)silane
SMILESCS(C)(C)[SiH2]CCCl
InChIInChI=1S/C5H15ClSSi/c1-7(2,3)8-5-4-6/h4-5,8H2,1-3H3
InChIKeyBKNIYSUVCQFRRT-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.78
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane?
The IUPAC name of 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane (CID 152757302) is 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane.
What is the SMILES notation for 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane?
The canonical SMILES for 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane is CS(C)(C)[SiH2]CCCl.
What is the InChIKey of 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane?
The InChIKey is BKNIYSUVCQFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15ClSSi/c1-7(2,3)8-5-4-6/h4-5,8H2,1-3H3.
What are the key properties of 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane?
2-chloroethyl-(trimethyl-λ4-sulfanyl)silane has a molecular weight of 170.78 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-(trimethyl-λ4-sulfanyl)silane is sourced from PubChem (CID 152757302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).