CID 23585820

C8H9AlO2S — CID 23585820

IUPAC—
SMILESO.O.[Al]c1cc2ccccc2s1
InChIInChI=1S/C8H5S.Al.2H2O/c1-2-4-8-7(3-1)5-6-9-8;;;/h1-5H;;2*1H2
InChIKeyUHRMPWMPPZAHJC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.05
Rot. Bonds

About CID 23585820

CID 23585820 (PubChem CID 23585820) has the molecular formula C8H9AlO2S and a molecular weight of 196.21 g/mol.

Molecular Properties

Compound NameCID 23585820
PubChem CID23585820
Molecular FormulaC8H9AlO2S
Molecular Weight196.21 g/mol
Exact Mass196.01
IUPAC Name—
SMILESO.O.[Al]c1cc2ccccc2s1
InChIInChI=1S/C8H5S.Al.2H2O/c1-2-4-8-7(3-1)5-6-9-8;;;/h1-5H;;2*1H2
InChIKeyUHRMPWMPPZAHJC-UHFFFAOYSA-N
XLogP0.05
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 23585820 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 23585820?
The IUPAC name of CID 23585820 (CID 23585820) is not available.
What is the SMILES notation for CID 23585820?
The canonical SMILES for CID 23585820 is O.O.[Al]c1cc2ccccc2s1.
What is the InChIKey of CID 23585820?
The InChIKey is UHRMPWMPPZAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5S.Al.2H2O/c1-2-4-8-7(3-1)5-6-9-8;;;/h1-5H;;2*1H2.
What are the key properties of CID 23585820?
CID 23585820 has a molecular weight of 196.21 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23585820 is sourced from PubChem (CID 23585820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).