sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene

C4H8NaO6S4+ — CID 54600760

IUPACsodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene
SMILESO=S(=O)(O)SC/C=C\CSS(=O)(=O)O.[Na+]
InChIInChI=1S/C4H8O6S4.Na/c5-13(6,7)11-3-1-2-4-12-14(8,9)10;/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10);/q;+1/b2-1-;
InChIKeyYZRFKCVXGXUTPE-ODZAUARKSA-N
MW303.36 g/mol
LogP-2.38
Rot. Bonds6

About sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene

sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene (PubChem CID 54600760) has the molecular formula C4H8NaO6S4+ and a molecular weight of 303.36 g/mol. Its IUPAC name is sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene.

Molecular Properties

Compound Namesodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene
PubChem CID54600760
Molecular FormulaC4H8NaO6S4+
Molecular Weight303.36 g/mol
Exact Mass302.91
IUPAC Namesodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene
SMILESO=S(=O)(O)SC/C=C\CSS(=O)(=O)O.[Na+]
InChIInChI=1S/C4H8O6S4.Na/c5-13(6,7)11-3-1-2-4-12-14(8,9)10;/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10);/q;+1/b2-1-;
InChIKeyYZRFKCVXGXUTPE-ODZAUARKSA-N
XLogP-2.38
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-sulfosulfanylprop-1-ene
CID 10582995
(E)-1-methylsulfonylsulfanylbut-2-ene
CID 21450354
potassium;hydride;1-sulfosulfanylpropane
CID 173418467
sodium (2S)-2-amino-3-sulfosulfanylpropanoate
CID 140887346
1-fluoro-3-sulfamoylsulfanylprop-1-ene
CID 174944681
1-sulfosulfanyldodecane
CID 10357698
CID 172696784
CID 172696784
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
disodium;hydride;sulfuric acid
CID 173215682
sodium;hydron;sulfuric acid
CID 173143063
disodium;sulfuric acid;sulfide
CID 18783555
disodium;hydride;sulfuric acid
CID 173031766

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The IUPAC name of sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene (CID 54600760) is sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene.
What is the SMILES notation for sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The canonical SMILES for sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene is O=S(=O)(O)SC/C=C\CSS(=O)(=O)O.[Na+].
What is the InChIKey of sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
The InChIKey is YZRFKCVXGXUTPE-ODZAUARKSA-N. The full InChI is InChI=1S/C4H8O6S4.Na/c5-13(6,7)11-3-1-2-4-12-14(8,9)10;/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10);/q;+1/b2-1-;.
What are the key properties of sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene?
sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene has a molecular weight of 303.36 g/mol, XLogP of -2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-1,4-bis(sulfosulfanyl)but-2-ene is sourced from PubChem (CID 54600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).