CID 131878873

C4H8AuNa2O5S — CID 131878873

IUPAC—
SMILESO.O=C(O)CC(S)C(=O)O.[Au].[Na].[Na]
InChIInChI=1S/C4H6O4S.Au.2Na.H2O/c5-3(6)1-2(9)4(7)8;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;1H2
InChIKeyHXFRLPQEGOWHJS-UHFFFAOYSA-N
MW411.12 g/mol
LogP-1.74
Rot. Bonds3

About CID 131878873

CID 131878873 (PubChem CID 131878873) has the molecular formula C4H8AuNa2O5S and a molecular weight of 411.12 g/mol.

Molecular Properties

Compound NameCID 131878873
PubChem CID131878873
Molecular FormulaC4H8AuNa2O5S
Molecular Weight411.12 g/mol
Exact Mass410.96
IUPAC Name—
SMILESO.O=C(O)CC(S)C(=O)O.[Au].[Na].[Na]
InChIInChI=1S/C4H6O4S.Au.2Na.H2O/c5-3(6)1-2(9)4(7)8;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;1H2
InChIKeyHXFRLPQEGOWHJS-UHFFFAOYSA-N
XLogP-1.74
TPSA106.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 131878873?
The IUPAC name of CID 131878873 (CID 131878873) is not available.
What is the SMILES notation for CID 131878873?
The canonical SMILES for CID 131878873 is O.O=C(O)CC(S)C(=O)O.[Au].[Na].[Na].
What is the InChIKey of CID 131878873?
The InChIKey is HXFRLPQEGOWHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S.Au.2Na.H2O/c5-3(6)1-2(9)4(7)8;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;1H2.
What are the key properties of CID 131878873?
CID 131878873 has a molecular weight of 411.12 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131878873 is sourced from PubChem (CID 131878873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).