CID 172781724

CH4MgO4S — CID 172781724

IUPAC—
SMILESO=S(=O)(O)CO.[Mg]
InChIInChI=1S/CH4O4S.Mg/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);
InChIKeyOISYTMCVNPMUAG-UHFFFAOYSA-N
MW136.41 g/mol
LogP-1.56
Rot. Bonds1

About CID 172781724

CID 172781724 (PubChem CID 172781724) has the molecular formula CH4MgO4S and a molecular weight of 136.41 g/mol.

Molecular Properties

Compound NameCID 172781724
PubChem CID172781724
Molecular FormulaCH4MgO4S
Molecular Weight136.41 g/mol
Exact Mass135.97
IUPAC Name—
SMILESO=S(=O)(O)CO.[Mg]
InChIInChI=1S/CH4O4S.Mg/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);
InChIKeyOISYTMCVNPMUAG-UHFFFAOYSA-N
XLogP-1.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.41
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanesulfonic acid
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hydroxymethanesulfonic acid
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potassium;hydride;hydroxymethanesulfonic acid
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sodium;hydride;hydroxymethanesulfonic acid;dihydrate
CID 173100137
CID 173398648
CID 173398648
CID 172733048
CID 172733048
2-hydroxyethanesulfonic acid;silver
CID 87209091
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
1,1,2,2,3,3-hexadeuteriopropane-1,3-disulfonic acid
CID 169439747
CID 156593771
CID 156593771
sulfuroiodidic acid
CID 20836541
CID 131856458
CID 131856458

Frequently Asked Questions

What is the IUPAC name of CID 172781724?
The IUPAC name of CID 172781724 (CID 172781724) is not available.
What is the SMILES notation for CID 172781724?
The canonical SMILES for CID 172781724 is O=S(=O)(O)CO.[Mg].
What is the InChIKey of CID 172781724?
The InChIKey is OISYTMCVNPMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S.Mg/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);.
What are the key properties of CID 172781724?
CID 172781724 has a molecular weight of 136.41 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172781724 is sourced from PubChem (CID 172781724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).