CID 132558166

C8H10O3SZn- — CID 132558166

IUPAC—
SMILESC=C1[CH]C=CC=C1.CS(=O)(=O)[O-].[Zn]
InChIInChI=1S/C7H7.CH4O3S.Zn/c1-7-5-3-2-4-6-7;1-5(2,3)4;/h2-6H,1H2;1H3,(H,2,3,4);/p-1
InChIKeyOSXHHPMOFMQJNX-UHFFFAOYSA-M
MW251.62 g/mol
LogP1.03
Rot. Bonds

About CID 132558166

CID 132558166 (PubChem CID 132558166) has the molecular formula C8H10O3SZn- and a molecular weight of 251.62 g/mol.

Molecular Properties

Compound NameCID 132558166
PubChem CID132558166
Molecular FormulaC8H10O3SZn-
Molecular Weight251.62 g/mol
Exact Mass249.96
IUPAC Name—
SMILESC=C1[CH]C=CC=C1.CS(=O)(=O)[O-].[Zn]
InChIInChI=1S/C7H7.CH4O3S.Zn/c1-7-5-3-2-4-6-7;1-5(2,3)4;/h2-6H,1H2;1H3,(H,2,3,4);/p-1
InChIKeyOSXHHPMOFMQJNX-UHFFFAOYSA-M
XLogP1.03
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 132558166 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 132558166?
The IUPAC name of CID 132558166 (CID 132558166) is not available.
What is the SMILES notation for CID 132558166?
The canonical SMILES for CID 132558166 is C=C1[CH]C=CC=C1.CS(=O)(=O)[O-].[Zn].
What is the InChIKey of CID 132558166?
The InChIKey is OSXHHPMOFMQJNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.CH4O3S.Zn/c1-7-5-3-2-4-6-7;1-5(2,3)4;/h2-6H,1H2;1H3,(H,2,3,4);/p-1.
What are the key properties of CID 132558166?
CID 132558166 has a molecular weight of 251.62 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132558166 is sourced from PubChem (CID 132558166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).