2,1,3-benzothiadiazole-5-sulfinyl chloride

C6H3ClN2OS2 — CID 142842280

IUPAC2,1,3-benzothiadiazole-5-sulfinyl chloride
SMILESO=S(Cl)c1ccc2nsnc2c1
InChIInChI=1S/C6H3ClN2OS2/c7-12(10)4-1-2-5-6(3-4)9-11-8-5/h1-3H
InChIKeyRZLXKJBRWBOGBT-UHFFFAOYSA-N
MW218.69 g/mol
LogP1.95
Rot. Bonds1

About 2,1,3-benzothiadiazole-5-sulfinyl chloride

2,1,3-benzothiadiazole-5-sulfinyl chloride (PubChem CID 142842280) has the molecular formula C6H3ClN2OS2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole-5-sulfinyl chloride.

Molecular Properties

Compound Name2,1,3-benzothiadiazole-5-sulfinyl chloride
PubChem CID142842280
Molecular FormulaC6H3ClN2OS2
Molecular Weight218.69 g/mol
Exact Mass217.94
IUPAC Name2,1,3-benzothiadiazole-5-sulfinyl chloride
SMILESO=S(Cl)c1ccc2nsnc2c1
InChIInChI=1S/C6H3ClN2OS2/c7-12(10)4-1-2-5-6(3-4)9-11-8-5/h1-3H
InChIKeyRZLXKJBRWBOGBT-UHFFFAOYSA-N
XLogP1.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,1,3-benzothiadiazole-5-sulfinyl 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 2,1,3-benzothiadiazole-5-sulfinyl chloride?
The IUPAC name of 2,1,3-benzothiadiazole-5-sulfinyl chloride (CID 142842280) is 2,1,3-benzothiadiazole-5-sulfinyl chloride.
What is the SMILES notation for 2,1,3-benzothiadiazole-5-sulfinyl chloride?
The canonical SMILES for 2,1,3-benzothiadiazole-5-sulfinyl chloride is O=S(Cl)c1ccc2nsnc2c1.
What is the InChIKey of 2,1,3-benzothiadiazole-5-sulfinyl chloride?
The InChIKey is RZLXKJBRWBOGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS2/c7-12(10)4-1-2-5-6(3-4)9-11-8-5/h1-3H.
What are the key properties of 2,1,3-benzothiadiazole-5-sulfinyl chloride?
2,1,3-benzothiadiazole-5-sulfinyl chloride has a molecular weight of 218.69 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazole-5-sulfinyl chloride is sourced from PubChem (CID 142842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).