2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride

C12H19Cl2NS — CID 26170

IUPAC2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCSc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRPNMGUBLKCLAEK-UHFFFAOYSA-N
MW280.26 g/mol
LogP-0.64
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride

2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride (PubChem CID 26170) has the molecular formula C12H19Cl2NS and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride
PubChem CID26170
Molecular FormulaC12H19Cl2NS
Molecular Weight280.26 g/mol
Exact Mass279.06
IUPAC Name2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCSc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRPNMGUBLKCLAEK-UHFFFAOYSA-N
XLogP-0.64
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride 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-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride?
The IUPAC name of 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride (CID 26170) is 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride is CC[NH+](CC)CCSc1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride?
The InChIKey is RPNMGUBLKCLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS.ClH/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12;/h5-8H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride?
2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride has a molecular weight of 280.26 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylethyl-diethylazanium chloride is sourced from PubChem (CID 26170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).