CID 88840644

CH4MgO2S — CID 88840644

IUPAC—
SMILESCS(=O)O.[Mg]
InChIInChI=1S/CH4O2S.Mg/c1-4(2)3;/h1H3,(H,2,3);
InChIKeyDASFYEIAECIAPM-UHFFFAOYSA-N
MW104.41 g/mol
LogP-0.54
Rot. Bonds

About CID 88840644

CID 88840644 (PubChem CID 88840644) has the molecular formula CH4MgO2S and a molecular weight of 104.41 g/mol.

Molecular Properties

Compound NameCID 88840644
PubChem CID88840644
Molecular FormulaCH4MgO2S
Molecular Weight104.41 g/mol
Exact Mass103.98
IUPAC Name—
SMILESCS(=O)O.[Mg]
InChIInChI=1S/CH4O2S.Mg/c1-4(2)3;/h1H3,(H,2,3);
InChIKeyDASFYEIAECIAPM-UHFFFAOYSA-N
XLogP-0.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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iron;sulfurous acid
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CID 86742114
[methyl(oxo)-λ6-sulfanylidyne]methanol
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hydrogen sulfite;methanol;hydrochloride
CID 174961977

Frequently Asked Questions

What is the IUPAC name of CID 88840644?
The IUPAC name of CID 88840644 (CID 88840644) is not available.
What is the SMILES notation for CID 88840644?
The canonical SMILES for CID 88840644 is CS(=O)O.[Mg].
What is the InChIKey of CID 88840644?
The InChIKey is DASFYEIAECIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2S.Mg/c1-4(2)3;/h1H3,(H,2,3);.
What are the key properties of CID 88840644?
CID 88840644 has a molecular weight of 104.41 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88840644 is sourced from PubChem (CID 88840644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).