sodium;2-aminoethanethiol;phosphoric acid

C2H10NNaO4PS+ — CID 23615661

IUPACsodium;2-aminoethanethiol;phosphoric acid
SMILESNCCS.O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H7NS.Na.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+1;
InChIKeyXQFXBYJBUSOKQZ-UHFFFAOYSA-N
MW198.14 g/mol
LogP-4.05
Rot. Bonds1

About sodium;2-aminoethanethiol;phosphoric acid

sodium;2-aminoethanethiol;phosphoric acid (PubChem CID 23615661) has the molecular formula C2H10NNaO4PS+ and a molecular weight of 198.14 g/mol. Its IUPAC name is sodium;2-aminoethanethiol;phosphoric acid.

Molecular Properties

Compound Namesodium;2-aminoethanethiol;phosphoric acid
PubChem CID23615661
Molecular FormulaC2H10NNaO4PS+
Molecular Weight198.14 g/mol
Exact Mass198.00
IUPAC Namesodium;2-aminoethanethiol;phosphoric acid
SMILESNCCS.O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H7NS.Na.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+1;
InChIKeyXQFXBYJBUSOKQZ-UHFFFAOYSA-N
XLogP-4.05
TPSA103.78 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-4.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175056762
2-aminoethanol;phosphane;phosphoric acid
CID 174583262
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
2-aminoethanol;phosphoric acid;zinc
CID 126749483
phosphoric acid;propane-1-thiol
CID 22065553
ethanethiol;phosphoric acid
CID 175577772
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
hexasodium;phosphoric acid;hexafluoride
CID 173078700
dipotassium;trisodium;phosphoric acid
CID 175728494

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminoethanethiol;phosphoric acid?
The IUPAC name of sodium;2-aminoethanethiol;phosphoric acid (CID 23615661) is sodium;2-aminoethanethiol;phosphoric acid.
What is the SMILES notation for sodium;2-aminoethanethiol;phosphoric acid?
The canonical SMILES for sodium;2-aminoethanethiol;phosphoric acid is NCCS.O=P(O)(O)O.[Na+].
What is the InChIKey of sodium;2-aminoethanethiol;phosphoric acid?
The InChIKey is XQFXBYJBUSOKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.Na.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+1;.
What are the key properties of sodium;2-aminoethanethiol;phosphoric acid?
sodium;2-aminoethanethiol;phosphoric acid has a molecular weight of 198.14 g/mol, XLogP of -4.05, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminoethanethiol;phosphoric acid is sourced from PubChem (CID 23615661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).