dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate

C8H8Li2NO3PS — CID 161233886

IUPACdilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate
SMILESO=C([O-])CNP([O-])(=S)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C8H10NO3PS.2Li/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,11)(H2,9,12,14);;/q;2*+1/p-2
InChIKeyMSFBBRXEMGKCJL-UHFFFAOYSA-L
MW243.08 g/mol
LogP-7.67
Rot. Bonds4

About dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate

dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate (PubChem CID 161233886) has the molecular formula C8H8Li2NO3PS and a molecular weight of 243.08 g/mol. Its IUPAC name is dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate.

Molecular Properties

Compound Namedilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate
PubChem CID161233886
Molecular FormulaC8H8Li2NO3PS
Molecular Weight243.08 g/mol
Exact Mass243.03
IUPAC Namedilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate
SMILESO=C([O-])CNP([O-])(=S)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C8H10NO3PS.2Li/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,11)(H2,9,12,14);;/q;2*+1/p-2
InChIKeyMSFBBRXEMGKCJL-UHFFFAOYSA-L
XLogP-7.67
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 5-7.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate?
The IUPAC name of dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate (CID 161233886) is dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate.
What is the SMILES notation for dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate?
The canonical SMILES for dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate is O=C([O-])CNP([O-])(=S)c1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate?
The InChIKey is MSFBBRXEMGKCJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10NO3PS.2Li/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,11)(H2,9,12,14);;/q;2*+1/p-2.
What are the key properties of dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate?
dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate has a molecular weight of 243.08 g/mol, XLogP of -7.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-[[oxido(phenyl)phosphinothioyl]amino]acetate is sourced from PubChem (CID 161233886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).