sodium;2-aminoethylsulfanylphosphonic acid;hydron

C2H9NNaO3PS+2 — CID 23615660

IUPACsodium;2-aminoethylsulfanylphosphonic acid;hydron
SMILESNCCSP(=O)(O)O.[H+].[Na+]
InChIInChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p+1
InChIKeyVZEGNYNPDZDIRW-UHFFFAOYSA-O
MW181.13 g/mol
LogP-3.11
Rot. Bonds3

About sodium;2-aminoethylsulfanylphosphonic acid;hydron

sodium;2-aminoethylsulfanylphosphonic acid;hydron (PubChem CID 23615660) has the molecular formula C2H9NNaO3PS+2 and a molecular weight of 181.13 g/mol. Its IUPAC name is sodium;2-aminoethylsulfanylphosphonic acid;hydron.

Molecular Properties

Compound Namesodium;2-aminoethylsulfanylphosphonic acid;hydron
PubChem CID23615660
Molecular FormulaC2H9NNaO3PS+2
Molecular Weight181.13 g/mol
Exact Mass180.99
IUPAC Namesodium;2-aminoethylsulfanylphosphonic acid;hydron
SMILESNCCSP(=O)(O)O.[H+].[Na+]
InChIInChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p+1
InChIKeyVZEGNYNPDZDIRW-UHFFFAOYSA-O
XLogP-3.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-3.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethylsulfanylphosphonic acid
CID 23423276
3-(4-aminobutylamino)propylsulfanylphosphonic acid;dihydrate
CID 21116412
3-phosphonosulfanylpropanoic acid
CID 57074427
2-amino-3-phosphonosulfanylpropanoic acid
CID 4628124
decylsulfanylphosphonic acid
CID 21217457
sodium;2-aminoethanethiol;phosphoric acid
CID 23615661
2-(2,2-dimethylpropanoyloxy)ethylsulfanylphosphonic acid
CID 159079365
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
2-aminoethanol;phosphoric acid;zinc
CID 126749483

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminoethylsulfanylphosphonic acid;hydron?
The IUPAC name of sodium;2-aminoethylsulfanylphosphonic acid;hydron (CID 23615660) is sodium;2-aminoethylsulfanylphosphonic acid;hydron.
What is the SMILES notation for sodium;2-aminoethylsulfanylphosphonic acid;hydron?
The canonical SMILES for sodium;2-aminoethylsulfanylphosphonic acid;hydron is NCCSP(=O)(O)O.[H+].[Na+].
What is the InChIKey of sodium;2-aminoethylsulfanylphosphonic acid;hydron?
The InChIKey is VZEGNYNPDZDIRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p+1.
What are the key properties of sodium;2-aminoethylsulfanylphosphonic acid;hydron?
sodium;2-aminoethylsulfanylphosphonic acid;hydron has a molecular weight of 181.13 g/mol, XLogP of -3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminoethylsulfanylphosphonic acid;hydron is sourced from PubChem (CID 23615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).