sodium;gold(1+);3-sulfidopropane-1-sulfonate

C3H6AuNaO3S2 — CID 170845901

IUPACsodium;gold(1+);3-sulfidopropane-1-sulfonate
SMILESO=S(=O)([O-])CCC[S-].[Au+].[Na+]
InChIInChI=1S/C3H8O3S2.Au.Na/c4-8(5,6)3-1-2-7;;/h7H,1-3H2,(H,4,5,6);;/q;2*+1/p-2
InChIKeyWOLXJRXGXFWGFI-UHFFFAOYSA-L
MW374.17 g/mol
LogP-3.53
Rot. Bonds3

About sodium;gold(1+);3-sulfidopropane-1-sulfonate

sodium;gold(1+);3-sulfidopropane-1-sulfonate (PubChem CID 170845901) has the molecular formula C3H6AuNaO3S2 and a molecular weight of 374.17 g/mol. Its IUPAC name is sodium;gold(1+);3-sulfidopropane-1-sulfonate.

Molecular Properties

Compound Namesodium;gold(1+);3-sulfidopropane-1-sulfonate
PubChem CID170845901
Molecular FormulaC3H6AuNaO3S2
Molecular Weight374.17 g/mol
Exact Mass373.93
IUPAC Namesodium;gold(1+);3-sulfidopropane-1-sulfonate
SMILESO=S(=O)([O-])CCC[S-].[Au+].[Na+]
InChIInChI=1S/C3H8O3S2.Au.Na/c4-8(5,6)3-1-2-7;;/h7H,1-3H2,(H,4,5,6);;/q;2*+1/p-2
InChIKeyWOLXJRXGXFWGFI-UHFFFAOYSA-L
XLogP-3.53
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

disodium;decane-1,10-disulfonate
CID 87519177
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
dilithium;ethane-1,2-disulfonate
CID 87246309
sodium;3-hydroxypropane-1-sulfonate;hydrate
CID 141444099
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
sodium dodecane-1-sulfonate
CID 23665726
sodium;pentane-1-sulfonate;hydrate
CID 23693099
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250
lithium 3-aminopropane-1-sulfonate
CID 118523249
lithium butane-1-sulfonate
CID 23684871
strontium ethane-1,2-disulfonate
CID 87366284

Frequently Asked Questions

What is the IUPAC name of sodium;gold(1+);3-sulfidopropane-1-sulfonate?
The IUPAC name of sodium;gold(1+);3-sulfidopropane-1-sulfonate (CID 170845901) is sodium;gold(1+);3-sulfidopropane-1-sulfonate.
What is the SMILES notation for sodium;gold(1+);3-sulfidopropane-1-sulfonate?
The canonical SMILES for sodium;gold(1+);3-sulfidopropane-1-sulfonate is O=S(=O)([O-])CCC[S-].[Au+].[Na+].
What is the InChIKey of sodium;gold(1+);3-sulfidopropane-1-sulfonate?
The InChIKey is WOLXJRXGXFWGFI-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O3S2.Au.Na/c4-8(5,6)3-1-2-7;;/h7H,1-3H2,(H,4,5,6);;/q;2*+1/p-2.
What are the key properties of sodium;gold(1+);3-sulfidopropane-1-sulfonate?
sodium;gold(1+);3-sulfidopropane-1-sulfonate has a molecular weight of 374.17 g/mol, XLogP of -3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;gold(1+);3-sulfidopropane-1-sulfonate is sourced from PubChem (CID 170845901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).