sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane

C2F2N2NaO4PS2 — CID 175765699

IUPACsodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane
SMILESO=C=NSSN=C=O.O=P([O-])(F)F.[Na+]
InChIInChI=1S/C2N2O2S2.F2HO2P.Na/c5-1-3-7-8-4-2-6;1-5(2,3)4;/h;(H,3,4);/q;;+1/p-1
InChIKeyMYZFKYBXFWWHAN-UHFFFAOYSA-M
MW272.13 g/mol
LogP-1.73
Rot. Bonds3

About sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane

sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane (PubChem CID 175765699) has the molecular formula C2F2N2NaO4PS2 and a molecular weight of 272.13 g/mol. Its IUPAC name is sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane.

Molecular Properties

Compound Namesodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane
PubChem CID175765699
Molecular FormulaC2F2N2NaO4PS2
Molecular Weight272.13 g/mol
Exact Mass271.89
IUPAC Namesodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane
SMILESO=C=NSSN=C=O.O=P([O-])(F)F.[Na+]
InChIInChI=1S/C2N2O2S2.F2HO2P.Na/c5-1-3-7-8-4-2-6;1-5(2,3)4;/h;(H,3,4);/q;;+1/p-1
InChIKeyMYZFKYBXFWWHAN-UHFFFAOYSA-M
XLogP-1.73
TPSA98.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
CID 175352083
tris(difluorophosphinate);silver
CID 175763297
disodium;chromium(3+);pentakis(fluoro-dioxido-oxo-λ5-phosphane);vanadium
CID 175438170
sodium;tetrakis(fluoro-dioxido-oxo-λ5-phosphane);iron(2+);vanadium
CID 175427471
sodium;fluoro-dioxido-oxo-λ5-phosphane;tin(2+) dihydride;fluoride
CID 173399771
fluoro-[fluoro(oxido)phosphoryl]phosphinate
CID 23413898
tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175200090
dilithium;bis(difluorophosphinate);trifluoroborane
CID 175347289
dilithium;difluorophosphinate;tetrafluoroborate
CID 174049644
sodium;dihydrogen phosphate;fluorophosphonic acid
CID 162002259
trisodium;fluorophosphonic acid;phosphate
CID 159691799
sodium phosphate
CID 21225609

Frequently Asked Questions

What is the IUPAC name of sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane?
The IUPAC name of sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane (CID 175765699) is sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane.
What is the SMILES notation for sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane?
The canonical SMILES for sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane is O=C=NSSN=C=O.O=P([O-])(F)F.[Na+].
What is the InChIKey of sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane?
The InChIKey is MYZFKYBXFWWHAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2N2O2S2.F2HO2P.Na/c5-1-3-7-8-4-2-6;1-5(2,3)4;/h;(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane?
sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane has a molecular weight of 272.13 g/mol, XLogP of -1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane is sourced from PubChem (CID 175765699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).