CID 161089433

C8H8MgO3S — CID 161089433

IUPAC—
SMILESO=S(=O)(O)C=Cc1ccccc1.[Mg]
InChIInChI=1S/C8H8O3S.Mg/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);
InChIKeyUGYWYDQYRUDJNC-UHFFFAOYSA-N
MW208.52 g/mol
LogP1.16
Rot. Bonds2

About CID 161089433

CID 161089433 (PubChem CID 161089433) has the molecular formula C8H8MgO3S and a molecular weight of 208.52 g/mol.

Molecular Properties

Compound NameCID 161089433
PubChem CID161089433
Molecular FormulaC8H8MgO3S
Molecular Weight208.52 g/mol
Exact Mass208.00
IUPAC Name—
SMILESO=S(=O)(O)C=Cc1ccccc1.[Mg]
InChIInChI=1S/C8H8O3S.Mg/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);
InChIKeyUGYWYDQYRUDJNC-UHFFFAOYSA-N
XLogP1.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.52
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 161089433 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
2-phenylethenesulfonic acid;pyridine
CID 173034936
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366
2-methylprop-2-enamide;2-phenylethenesulfonic acid
CID 146593099
stilbene;sulfuric acid
CID 67612140
2-ethenylpyridine;2-phenylethenesulfonic acid
CID 88722678
[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
CID 10988246
N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
CID 173333887
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143

Frequently Asked Questions

What is the IUPAC name of CID 161089433?
The IUPAC name of CID 161089433 (CID 161089433) is not available.
What is the SMILES notation for CID 161089433?
The canonical SMILES for CID 161089433 is O=S(=O)(O)C=Cc1ccccc1.[Mg].
What is the InChIKey of CID 161089433?
The InChIKey is UGYWYDQYRUDJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.Mg/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);.
What are the key properties of CID 161089433?
CID 161089433 has a molecular weight of 208.52 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161089433 is sourced from PubChem (CID 161089433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).