sodium;2-amino-3-sulfanylpropanoic acid;hydride

C3H8NNaO2S — CID 173209935

IUPACsodium;2-amino-3-sulfanylpropanoic acid;hydride
SMILESNC(CS)C(=O)O.[H-].[Na+]
InChIInChI=1S/C3H7NO2S.Na.H/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);;/q;+1;-1
InChIKeyXUNZZZLOFCZVOC-UHFFFAOYSA-N
MW145.16 g/mol
LogP-3.56
Rot. Bonds2

About sodium;2-amino-3-sulfanylpropanoic acid;hydride

sodium;2-amino-3-sulfanylpropanoic acid;hydride (PubChem CID 173209935) has the molecular formula C3H8NNaO2S and a molecular weight of 145.16 g/mol. Its IUPAC name is sodium;2-amino-3-sulfanylpropanoic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-3-sulfanylpropanoic acid;hydride
PubChem CID173209935
Molecular FormulaC3H8NNaO2S
Molecular Weight145.16 g/mol
Exact Mass145.02
IUPAC Namesodium;2-amino-3-sulfanylpropanoic acid;hydride
SMILESNC(CS)C(=O)O.[H-].[Na+]
InChIInChI=1S/C3H7NO2S.Na.H/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);;/q;+1;-1
InChIKeyXUNZZZLOFCZVOC-UHFFFAOYSA-N
XLogP-3.56
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-3.56
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

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
CID 167600455
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite
CID 162394147

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-3-sulfanylpropanoic acid;hydride?
The IUPAC name of sodium;2-amino-3-sulfanylpropanoic acid;hydride (CID 173209935) is sodium;2-amino-3-sulfanylpropanoic acid;hydride.
What is the SMILES notation for sodium;2-amino-3-sulfanylpropanoic acid;hydride?
The canonical SMILES for sodium;2-amino-3-sulfanylpropanoic acid;hydride is NC(CS)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-amino-3-sulfanylpropanoic acid;hydride?
The InChIKey is XUNZZZLOFCZVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S.Na.H/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;2-amino-3-sulfanylpropanoic acid;hydride?
sodium;2-amino-3-sulfanylpropanoic acid;hydride has a molecular weight of 145.16 g/mol, XLogP of -3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-3-sulfanylpropanoic acid;hydride is sourced from PubChem (CID 173209935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).