sodium 2-dioxidophosphinothioyloxyethanamine

C2H6NNaO3PS- — CID 22677084

IUPACsodium 2-dioxidophosphinothioyloxyethanamine
SMILESNCCOP([O-])([O-])=S.[Na+]
InChIInChI=1S/C2H8NO3PS.Na/c3-1-2-6-7(4,5)8;/h1-3H2,(H2,4,5,8);/q;+1/p-2
InChIKeyKKEOADSMVAGGCK-UHFFFAOYSA-L
MW178.10 g/mol
LogP-5.09
Rot. Bonds3

About sodium 2-dioxidophosphinothioyloxyethanamine

sodium 2-dioxidophosphinothioyloxyethanamine (PubChem CID 22677084) has the molecular formula C2H6NNaO3PS- and a molecular weight of 178.10 g/mol. Its IUPAC name is sodium 2-dioxidophosphinothioyloxyethanamine.

Molecular Properties

Compound Namesodium 2-dioxidophosphinothioyloxyethanamine
PubChem CID22677084
Molecular FormulaC2H6NNaO3PS-
Molecular Weight178.10 g/mol
Exact Mass177.97
IUPAC Namesodium 2-dioxidophosphinothioyloxyethanamine
SMILESNCCOP([O-])([O-])=S.[Na+]
InChIInChI=1S/C2H8NO3PS.Na/c3-1-2-6-7(4,5)8;/h1-3H2,(H2,4,5,8);/q;+1/p-2
InChIKeyKKEOADSMVAGGCK-UHFFFAOYSA-L
XLogP-5.09
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 5-5.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-dioxidophosphinothioyloxyethanamine?
The IUPAC name of sodium 2-dioxidophosphinothioyloxyethanamine (CID 22677084) is sodium 2-dioxidophosphinothioyloxyethanamine.
What is the SMILES notation for sodium 2-dioxidophosphinothioyloxyethanamine?
The canonical SMILES for sodium 2-dioxidophosphinothioyloxyethanamine is NCCOP([O-])([O-])=S.[Na+].
What is the InChIKey of sodium 2-dioxidophosphinothioyloxyethanamine?
The InChIKey is KKEOADSMVAGGCK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8NO3PS.Na/c3-1-2-6-7(4,5)8;/h1-3H2,(H2,4,5,8);/q;+1/p-2.
What are the key properties of sodium 2-dioxidophosphinothioyloxyethanamine?
sodium 2-dioxidophosphinothioyloxyethanamine has a molecular weight of 178.10 g/mol, XLogP of -5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-dioxidophosphinothioyloxyethanamine is sourced from PubChem (CID 22677084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).