sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid

C4H7NaO4S — CID 173003308

IUPACsodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid
SMILESO=C(S)CC(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O4S.Na.H/c5-2(4(7)8)1-3(6)9;;/h2,5H,1H2,(H,6,9)(H,7,8);;/q;+1;-1
InChIKeyGCHWSGHVWRTIJN-UHFFFAOYSA-N
MW174.15 g/mol
LogP-3.61
Rot. Bonds3

About sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid

sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid (PubChem CID 173003308) has the molecular formula C4H7NaO4S and a molecular weight of 174.15 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid
PubChem CID173003308
Molecular FormulaC4H7NaO4S
Molecular Weight174.15 g/mol
Exact Mass174.00
IUPAC Namesodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid
SMILESO=C(S)CC(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O4S.Na.H/c5-2(4(7)8)1-3(6)9;;/h2,5H,1H2,(H,6,9)(H,7,8);;/q;+1;-1
InChIKeyGCHWSGHVWRTIJN-UHFFFAOYSA-N
XLogP-3.61
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-3.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
potassium;sodium;hydride;2-hydroxybutanedioic acid;phosphoric acid
CID 174791602
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
sodium;3-chloro-2-hydroxypropanoic acid;hydride
CID 175406960
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid?
The IUPAC name of sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid (CID 173003308) is sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid is O=C(S)CC(O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid?
The InChIKey is GCHWSGHVWRTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S.Na.H/c5-2(4(7)8)1-3(6)9;;/h2,5H,1H2,(H,6,9)(H,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid?
sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid has a molecular weight of 174.15 g/mol, XLogP of -3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid is sourced from PubChem (CID 173003308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).