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

C9H10Li2NO3PS — CID 162651275

IUPACdilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate
SMILESC[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C9H12NO3PS.2Li/c1-7(9(11)12)10-14(13,15)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,11,12)(H2,10,13,15);;/q;2*+1/p-2/t7-,14?;;/m0../s1
InChIKeyHWWNLGOCGQLDHE-ZNXLSLGMSA-L
MW257.11 g/mol
LogP-7.28
Rot. Bonds4

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

dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate (PubChem CID 162651275) has the molecular formula C9H10Li2NO3PS and a molecular weight of 257.11 g/mol. Its IUPAC name is dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate.

Molecular Properties

Compound Namedilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate
PubChem CID162651275
Molecular FormulaC9H10Li2NO3PS
Molecular Weight257.11 g/mol
Exact Mass257.04
IUPAC Namedilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate
SMILESC[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C9H12NO3PS.2Li/c1-7(9(11)12)10-14(13,15)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,11,12)(H2,10,13,15);;/q;2*+1/p-2/t7-,14?;;/m0../s1
InChIKeyHWWNLGOCGQLDHE-ZNXLSLGMSA-L
XLogP-7.28
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 5-7.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Lithium (phenylsulfidophosphoryl)glycinate
CID 161233886
trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
CID 10829566
dilithium;(2S)-4-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]pentanoate
CID 162645496
dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
CID 162652492
dilithium;(2S,3S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]pentanoate
CID 162657562
dilithium;(2S)-4-methylsulfanyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
CID 162659532
2-[[Hydroxy(phenyl)phosphinothioyl]amino]acetic acid
CID 130397659
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]propanoic acid
CID 162651276
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-3-methylbutanoic acid
CID 162652493
2-Aminopropanoic acid;benzene
CID 18362175
(2S)-2-(diphenylphosphanylamino)propanoic acid
CID 69339221
(2R)-2-(diphenylphosphanylamino)propanoic acid
CID 69339334

Frequently Asked Questions

What is the IUPAC name of dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate?
The IUPAC name of dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate (CID 162651275) is dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate.
What is the SMILES notation for dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate?
The canonical SMILES for dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate is C[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate?
The InChIKey is HWWNLGOCGQLDHE-ZNXLSLGMSA-L. The full InChI is InChI=1S/C9H12NO3PS.2Li/c1-7(9(11)12)10-14(13,15)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,11,12)(H2,10,13,15);;/q;2*+1/p-2/t7-,14?;;/m0../s1.
What are the key properties of dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate?
dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate has a molecular weight of 257.11 g/mol, XLogP of -7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate is sourced from PubChem (CID 162651275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).