2-aminoethylsulfanylphosphonic acid

C2H8NO3PS — CID 2916

IUPAC2-aminoethylsulfanylphosphonic acid
SMILESNCCSP(=O)(O)O
InChIInChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeyRZPNFYXFSHGGBE-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.23
Rot. Bonds3

About 2-aminoethylsulfanylphosphonic acid

2-aminoethylsulfanylphosphonic acid (PubChem CID 2916) has the molecular formula C2H8NO3PS and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-aminoethylsulfanylphosphonic acid.

Molecular Properties

Compound Name2-aminoethylsulfanylphosphonic acid
PubChem CID2916
Molecular FormulaC2H8NO3PS
Molecular Weight157.13 g/mol
Exact Mass157.00
IUPAC Name2-aminoethylsulfanylphosphonic acid
SMILESNCCSP(=O)(O)O
InChIInChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeyRZPNFYXFSHGGBE-UHFFFAOYSA-N
XLogP-0.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethylsulfanylphosphonic acid?
The IUPAC name of 2-aminoethylsulfanylphosphonic acid (CID 2916) is 2-aminoethylsulfanylphosphonic acid.
What is the SMILES notation for 2-aminoethylsulfanylphosphonic acid?
The canonical SMILES for 2-aminoethylsulfanylphosphonic acid is NCCSP(=O)(O)O.
What is the InChIKey of 2-aminoethylsulfanylphosphonic acid?
The InChIKey is RZPNFYXFSHGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6).
What are the key properties of 2-aminoethylsulfanylphosphonic acid?
2-aminoethylsulfanylphosphonic acid has a molecular weight of 157.13 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylsulfanylphosphonic acid is sourced from PubChem (CID 2916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).