2-chloroethyl(trimethyl)-λ4-sulfane

C5H13ClS — CID 123921551

IUPAC2-chloroethyl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)CCCl
InChIInChI=1S/C5H13ClS/c1-7(2,3)5-4-6/h4-5H2,1-3H3
InChIKeyCASQIXJEDGEYFY-UHFFFAOYSA-N
MW140.68 g/mol
LogP1.92
Rot. Bonds2

About 2-chloroethyl(trimethyl)-λ4-sulfane

2-chloroethyl(trimethyl)-λ4-sulfane (PubChem CID 123921551) has the molecular formula C5H13ClS and a molecular weight of 140.68 g/mol. Its IUPAC name is 2-chloroethyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name2-chloroethyl(trimethyl)-λ4-sulfane
PubChem CID123921551
Molecular FormulaC5H13ClS
Molecular Weight140.68 g/mol
Exact Mass140.04
IUPAC Name2-chloroethyl(trimethyl)-λ4-sulfane
SMILESCS(C)(C)CCCl
InChIInChI=1S/C5H13ClS/c1-7(2,3)5-4-6/h4-5H2,1-3H3
InChIKeyCASQIXJEDGEYFY-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.68
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(trimethyl)-λ4-sulfane?
The IUPAC name of 2-chloroethyl(trimethyl)-λ4-sulfane (CID 123921551) is 2-chloroethyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 2-chloroethyl(trimethyl)-λ4-sulfane?
The canonical SMILES for 2-chloroethyl(trimethyl)-λ4-sulfane is CS(C)(C)CCCl.
What is the InChIKey of 2-chloroethyl(trimethyl)-λ4-sulfane?
The InChIKey is CASQIXJEDGEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClS/c1-7(2,3)5-4-6/h4-5H2,1-3H3.
What are the key properties of 2-chloroethyl(trimethyl)-λ4-sulfane?
2-chloroethyl(trimethyl)-λ4-sulfane has a molecular weight of 140.68 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 123921551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).