methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate

C2H6O8P3S2-3 — CID 176877571

IUPACmethylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
SMILESCSP(=O)([O-])OP(=O)([O-])OP(=O)([O-])SC
InChIInChI=1S/C2H9O8P3S2/c1-14-12(5,6)9-11(3,4)10-13(7,8)15-2/h1-2H3,(H,3,4)(H,5,6)(H,7,8)/p-3
InChIKeyNJPMXOQDALBIJR-UHFFFAOYSA-K
MW315.12 g/mol
LogP0.15
Rot. Bonds6

About methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate

methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate (PubChem CID 176877571) has the molecular formula C2H6O8P3S2-3 and a molecular weight of 315.12 g/mol. Its IUPAC name is methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate.

Molecular Properties

Compound Namemethylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
PubChem CID176877571
Molecular FormulaC2H6O8P3S2-3
Molecular Weight315.12 g/mol
Exact Mass314.87
IUPAC Namemethylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
SMILESCSP(=O)([O-])OP(=O)([O-])OP(=O)([O-])SC
InChIInChI=1S/C2H9O8P3S2/c1-14-12(5,6)9-11(3,4)10-13(7,8)15-2/h1-2H3,(H,3,4)(H,5,6)(H,7,8)/p-3
InChIKeyNJPMXOQDALBIJR-UHFFFAOYSA-K
XLogP0.15
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
CID 177074901
mercury;phosphonato phosphate
CID 157352193
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The IUPAC name of methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate (CID 176877571) is methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate.
What is the SMILES notation for methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The canonical SMILES for methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate is CSP(=O)([O-])OP(=O)([O-])OP(=O)([O-])SC.
What is the InChIKey of methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
The InChIKey is NJPMXOQDALBIJR-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H9O8P3S2/c1-14-12(5,6)9-11(3,4)10-13(7,8)15-2/h1-2H3,(H,3,4)(H,5,6)(H,7,8)/p-3.
What are the key properties of methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate?
methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate has a molecular weight of 315.12 g/mol, XLogP of 0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl-[[methylsulfanyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate is sourced from PubChem (CID 176877571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).