2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride

C8H11Cl2NS2 — CID 21370

IUPAC2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride
SMILES[Cl-].[NH3+]CCSSc1ccccc1Cl
InChIInChI=1S/C8H10ClNS2.ClH/c9-7-3-1-2-4-8(7)12-11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyWFMZASVQUWQPRL-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.67
Rot. Bonds4

About 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride

2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride (PubChem CID 21370) has the molecular formula C8H11Cl2NS2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride
PubChem CID21370
Molecular FormulaC8H11Cl2NS2
Molecular Weight256.22 g/mol
Exact Mass254.97
IUPAC Name2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride
SMILES[Cl-].[NH3+]CCSSc1ccccc1Cl
InChIInChI=1S/C8H10ClNS2.ClH/c9-7-3-1-2-4-8(7)12-11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyWFMZASVQUWQPRL-UHFFFAOYSA-N
XLogP-0.67
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenyl)disulfanyl]ethylazanium 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-[(2-chlorophenyl)disulfanyl]ethylazanium chloride?
The IUPAC name of 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride (CID 21370) is 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride.
What is the SMILES notation for 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride?
The canonical SMILES for 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride is [Cl-].[NH3+]CCSSc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride?
The InChIKey is WFMZASVQUWQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS2.ClH/c9-7-3-1-2-4-8(7)12-11-6-5-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride?
2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride has a molecular weight of 256.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)disulfanyl]ethylazanium chloride is sourced from PubChem (CID 21370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).