2-sulfanylbenzenediazonium chloride

C6H5ClN2S — CID 158363309

IUPAC2-sulfanylbenzenediazonium chloride
SMILESN#[N+]c1ccccc1S.[Cl-]
InChIInChI=1S/C6H4N2S.ClH/c7-8-5-3-1-2-4-6(5)9;/h1-4H;1H
InChIKeyGTSPAFVQXWRWLJ-UHFFFAOYSA-N
MW172.64 g/mol
LogP-0.54
Rot. Bonds

About 2-sulfanylbenzenediazonium chloride

2-sulfanylbenzenediazonium chloride (PubChem CID 158363309) has the molecular formula C6H5ClN2S and a molecular weight of 172.64 g/mol. Its IUPAC name is 2-sulfanylbenzenediazonium chloride.

Molecular Properties

Compound Name2-sulfanylbenzenediazonium chloride
PubChem CID158363309
Molecular FormulaC6H5ClN2S
Molecular Weight172.64 g/mol
Exact Mass171.99
IUPAC Name2-sulfanylbenzenediazonium chloride
SMILESN#[N+]c1ccccc1S.[Cl-]
InChIInChI=1S/C6H4N2S.ClH/c7-8-5-3-1-2-4-6(5)9;/h1-4H;1H
InChIKeyGTSPAFVQXWRWLJ-UHFFFAOYSA-N
XLogP-0.54
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-sulfanylbenzenediazonium 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-sulfanylbenzenediazonium chloride?
The IUPAC name of 2-sulfanylbenzenediazonium chloride (CID 158363309) is 2-sulfanylbenzenediazonium chloride.
What is the SMILES notation for 2-sulfanylbenzenediazonium chloride?
The canonical SMILES for 2-sulfanylbenzenediazonium chloride is N#[N+]c1ccccc1S.[Cl-].
What is the InChIKey of 2-sulfanylbenzenediazonium chloride?
The InChIKey is GTSPAFVQXWRWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S.ClH/c7-8-5-3-1-2-4-6(5)9;/h1-4H;1H.
What are the key properties of 2-sulfanylbenzenediazonium chloride?
2-sulfanylbenzenediazonium chloride has a molecular weight of 172.64 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylbenzenediazonium chloride is sourced from PubChem (CID 158363309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).