CID 175606229

Cl5NS — CID 175606229

IUPAC—
SMILESClN(Cl)S(Cl)(Cl)Cl
InChIInChI=1S/Cl5NS/c1-6(2)7(3,4)5
InChIKeyVUASMVHYXTTXJE-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.78
Rot. Bonds1

About CID 175606229

CID 175606229 (PubChem CID 175606229) has the molecular formula Cl5NS and a molecular weight of 223.34 g/mol.

Molecular Properties

Compound NameCID 175606229
PubChem CID175606229
Molecular FormulaCl5NS
Molecular Weight223.34 g/mol
Exact Mass220.82
IUPAC Name—
SMILESClN(Cl)S(Cl)(Cl)Cl
InChIInChI=1S/Cl5NS/c1-6(2)7(3,4)5
InChIKeyVUASMVHYXTTXJE-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 175606229 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 CID 175606229?
The IUPAC name of CID 175606229 (CID 175606229) is not available.
What is the SMILES notation for CID 175606229?
The canonical SMILES for CID 175606229 is ClN(Cl)S(Cl)(Cl)Cl.
What is the InChIKey of CID 175606229?
The InChIKey is VUASMVHYXTTXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl5NS/c1-6(2)7(3,4)5.
What are the key properties of CID 175606229?
CID 175606229 has a molecular weight of 223.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175606229 is sourced from PubChem (CID 175606229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).