sodium hydroxy(propylsulfanylcarbonyl)phosphinate

C4H8NaO4PS — CID 23676696

IUPACsodium hydroxy(propylsulfanylcarbonyl)phosphinate
SMILESCCCSC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C4H9O4PS.Na/c1-2-3-10-4(5)9(6,7)8;/h2-3H2,1H3,(H2,6,7,8);/q;+1/p-1
InChIKeyHATGQAZDUUTFBJ-UHFFFAOYSA-M
MW206.13 g/mol
LogP-2.20
Rot. Bonds3

About sodium hydroxy(propylsulfanylcarbonyl)phosphinate

sodium hydroxy(propylsulfanylcarbonyl)phosphinate (PubChem CID 23676696) has the molecular formula C4H8NaO4PS and a molecular weight of 206.13 g/mol. Its IUPAC name is sodium hydroxy(propylsulfanylcarbonyl)phosphinate.

Molecular Properties

Compound Namesodium hydroxy(propylsulfanylcarbonyl)phosphinate
PubChem CID23676696
Molecular FormulaC4H8NaO4PS
Molecular Weight206.13 g/mol
Exact Mass205.98
IUPAC Namesodium hydroxy(propylsulfanylcarbonyl)phosphinate
SMILESCCCSC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C4H9O4PS.Na/c1-2-3-10-4(5)9(6,7)8;/h2-3H2,1H3,(H2,6,7,8);/q;+1/p-1
InChIKeyHATGQAZDUUTFBJ-UHFFFAOYSA-M
XLogP-2.20
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
S-propyl N,N-dimethylcarbamothioate
CID 13228568
CID 50923072
CID 50923072
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
sodium;ethanolate;phosphoric acid
CID 158540403
trisodium;hydrogen phosphate;methanolate
CID 174908769
potassium;dihydrogen phosphate;ethanol
CID 160928957
disodium;dihydrogen phosphate;acetate
CID 86638819
sodium dihydroxy(32P)phosphinate
CID 23694678
propyl N-carbamoylcarbamodithioate
CID 174741188
sodium;dihydrogen phosphate;octanoic acid
CID 172803053

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy(propylsulfanylcarbonyl)phosphinate?
The IUPAC name of sodium hydroxy(propylsulfanylcarbonyl)phosphinate (CID 23676696) is sodium hydroxy(propylsulfanylcarbonyl)phosphinate.
What is the SMILES notation for sodium hydroxy(propylsulfanylcarbonyl)phosphinate?
The canonical SMILES for sodium hydroxy(propylsulfanylcarbonyl)phosphinate is CCCSC(=O)P(=O)([O-])O.[Na+].
What is the InChIKey of sodium hydroxy(propylsulfanylcarbonyl)phosphinate?
The InChIKey is HATGQAZDUUTFBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O4PS.Na/c1-2-3-10-4(5)9(6,7)8;/h2-3H2,1H3,(H2,6,7,8);/q;+1/p-1.
What are the key properties of sodium hydroxy(propylsulfanylcarbonyl)phosphinate?
sodium hydroxy(propylsulfanylcarbonyl)phosphinate has a molecular weight of 206.13 g/mol, XLogP of -2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy(propylsulfanylcarbonyl)phosphinate is sourced from PubChem (CID 23676696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).