sodium;gold;hydride;2-sulfanylbutanedioic acid

C4H7AuNaO4S — CID 174506233

IUPACsodium;gold;hydride;2-sulfanylbutanedioic acid
SMILESO=C(O)CC(S)C(=O)O.[Au].[H-].[Na+]
InChIInChI=1S/C4H6O4S.Au.Na.H/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;;+1;-1
InChIKeyCZTOCZQTYUVQMJ-UHFFFAOYSA-N
MW371.12 g/mol
LogP-3.04
Rot. Bonds3

About sodium;gold;hydride;2-sulfanylbutanedioic acid

sodium;gold;hydride;2-sulfanylbutanedioic acid (PubChem CID 174506233) has the molecular formula C4H7AuNaO4S and a molecular weight of 371.12 g/mol. Its IUPAC name is sodium;gold;hydride;2-sulfanylbutanedioic acid.

Molecular Properties

Compound Namesodium;gold;hydride;2-sulfanylbutanedioic acid
PubChem CID174506233
Molecular FormulaC4H7AuNaO4S
Molecular Weight371.12 g/mol
Exact Mass370.96
IUPAC Namesodium;gold;hydride;2-sulfanylbutanedioic acid
SMILESO=C(O)CC(S)C(=O)O.[Au].[H-].[Na+]
InChIInChI=1S/C4H6O4S.Au.Na.H/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;;+1;-1
InChIKeyCZTOCZQTYUVQMJ-UHFFFAOYSA-N
XLogP-3.04
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 5-3.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;gold;hydride;2-sulfanylbutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 131878873
CID 131878873
sulfane;(2S)-2-sulfanylbutanedioic acid
CID 161122620
CID 170842918
CID 170842918
gold;2,3,4,5,6-pentahydroxyhexanal;2-sulfanylbutanedioic acid
CID 174820286
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
CID 173458635
(2S)-2-sulfanylpentanedioic acid
CID 87305291
ethane;4-(methylamino)-4-oxo-2-sulfanylbutanoic acid
CID 170596842
2-sulfanylbutanoic acid
CID 159730662
2-sulfanylacetic acid;2-sulfanylbutanoic acid
CID 87126143
CID 59102127
CID 59102127
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884

Frequently Asked Questions

What is the IUPAC name of sodium;gold;hydride;2-sulfanylbutanedioic acid?
The IUPAC name of sodium;gold;hydride;2-sulfanylbutanedioic acid (CID 174506233) is sodium;gold;hydride;2-sulfanylbutanedioic acid.
What is the SMILES notation for sodium;gold;hydride;2-sulfanylbutanedioic acid?
The canonical SMILES for sodium;gold;hydride;2-sulfanylbutanedioic acid is O=C(O)CC(S)C(=O)O.[Au].[H-].[Na+].
What is the InChIKey of sodium;gold;hydride;2-sulfanylbutanedioic acid?
The InChIKey is CZTOCZQTYUVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S.Au.Na.H/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;;+1;-1.
What are the key properties of sodium;gold;hydride;2-sulfanylbutanedioic acid?
sodium;gold;hydride;2-sulfanylbutanedioic acid has a molecular weight of 371.12 g/mol, XLogP of -3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;gold;hydride;2-sulfanylbutanedioic acid is sourced from PubChem (CID 174506233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).