CID 57473469

C2H4MgO2S — CID 57473469

IUPAC—
SMILESO=C(O)CS.[Mg]
InChIInChI=1S/C2H4O2S.Mg/c3-2(4)1-5;/h5H,1H2,(H,3,4);
InChIKeyVGSHMZKWDDHNCB-UHFFFAOYSA-N
MW116.42 g/mol
LogP-0.38
Rot. Bonds1

About CID 57473469

CID 57473469 (PubChem CID 57473469) has the molecular formula C2H4MgO2S and a molecular weight of 116.42 g/mol.

Molecular Properties

Compound NameCID 57473469
PubChem CID57473469
Molecular FormulaC2H4MgO2S
Molecular Weight116.42 g/mol
Exact Mass115.98
IUPAC Name—
SMILESO=C(O)CS.[Mg]
InChIInChI=1S/C2H4O2S.Mg/c3-2(4)1-5;/h5H,1H2,(H,3,4);
InChIKeyVGSHMZKWDDHNCB-UHFFFAOYSA-N
XLogP-0.38
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 57473469?
The IUPAC name of CID 57473469 (CID 57473469) is not available.
What is the SMILES notation for CID 57473469?
The canonical SMILES for CID 57473469 is O=C(O)CS.[Mg].
What is the InChIKey of CID 57473469?
The InChIKey is VGSHMZKWDDHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.Mg/c3-2(4)1-5;/h5H,1H2,(H,3,4);.
What are the key properties of CID 57473469?
CID 57473469 has a molecular weight of 116.42 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57473469 is sourced from PubChem (CID 57473469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).