sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid

C5H11NaO2S2 — CID 175065659

IUPACsodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid
SMILESO=C(O)C(CS)CCS.[H-].[Na+]
InChIInChI=1S/C5H10O2S2.Na.H/c6-5(7)4(3-9)1-2-8;;/h4,8-9H,1-3H2,(H,6,7);;/q;+1;-1
InChIKeyNVMOUQROQNQGEY-UHFFFAOYSA-N
MW190.26 g/mol
LogP-1.95
Rot. Bonds4

About sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid

sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid (PubChem CID 175065659) has the molecular formula C5H11NaO2S2 and a molecular weight of 190.26 g/mol. Its IUPAC name is sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid.

Molecular Properties

Compound Namesodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid
PubChem CID175065659
Molecular FormulaC5H11NaO2S2
Molecular Weight190.26 g/mol
Exact Mass190.01
IUPAC Namesodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid
SMILESO=C(O)C(CS)CCS.[H-].[Na+]
InChIInChI=1S/C5H10O2S2.Na.H/c6-5(7)4(3-9)1-2-8;;/h4,8-9H,1-3H2,(H,6,7);;/q;+1;-1
InChIKeyNVMOUQROQNQGEY-UHFFFAOYSA-N
XLogP-1.95
TPSA37.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-1.95
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

2,8-bis(sulfanylmethyl)nonanedioic acid
CID 141431047
(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
CID 71737799
2-(2-sulfanylethyl)icosanoic acid
CID 88820914
N,N-dimethyl-4-sulfanyl-2-(sulfanylmethyl)butanamide
CID 23104527
2-hydroxy-4-sulfanylbutanoic acid;methane
CID 20975562
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
2-amino-4-sulfanylbutanoic acid
CID 778
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]-4-sulfanylbutanoic acid
CID 175742522
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid?
The IUPAC name of sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid (CID 175065659) is sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid.
What is the SMILES notation for sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid?
The canonical SMILES for sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid is O=C(O)C(CS)CCS.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid?
The InChIKey is NVMOUQROQNQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S2.Na.H/c6-5(7)4(3-9)1-2-8;;/h4,8-9H,1-3H2,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid?
sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid has a molecular weight of 190.26 g/mol, XLogP of -1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-sulfanyl-2-(sulfanylmethyl)butanoic acid is sourced from PubChem (CID 175065659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).