bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid

C6H5ClO3S — CID 174771781

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.c1cc2ccc1-2
InChIInChI=1S/C6H4.ClHO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyGZQZDDYKSYPJGJ-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.70
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid

bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid (PubChem CID 174771781) has the molecular formula C6H5ClO3S and a molecular weight of 192.62 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid
PubChem CID174771781
Molecular FormulaC6H5ClO3S
Molecular Weight192.62 g/mol
Exact Mass191.96
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.c1cc2ccc1-2
InChIInChI=1S/C6H4.ClHO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyGZQZDDYKSYPJGJ-UHFFFAOYSA-N
XLogP1.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid 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 bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid (CID 174771781) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid is O=S(=O)(O)Cl.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid?
The InChIKey is GZQZDDYKSYPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.ClHO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid has a molecular weight of 192.62 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;sulfurochloridic acid is sourced from PubChem (CID 174771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).