disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane

CH3Na2O2PS2 — CID 172832566

IUPACdisodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCOP([O-])(=S)[S-].[Na+].[Na+]
InChIInChI=1S/CH5O2PS2.2Na/c1-3-4(2,5)6;;/h1H3,(H2,2,5,6);;/q;2*+1/p-2
InChIKeyVSBORNFIVNCMCN-UHFFFAOYSA-L
MW188.12 g/mol
LogP-6.23
Rot. Bonds1

About disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane

disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 172832566) has the molecular formula CH3Na2O2PS2 and a molecular weight of 188.12 g/mol. Its IUPAC name is disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namedisodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
PubChem CID172832566
Molecular FormulaCH3Na2O2PS2
Molecular Weight188.12 g/mol
Exact Mass187.91
IUPAC Namedisodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
SMILESCOP([O-])(=S)[S-].[Na+].[Na+]
InChIInChI=1S/CH5O2PS2.2Na/c1-3-4(2,5)6;;/h1H3,(H2,2,5,6);;/q;2*+1/p-2
InChIKeyVSBORNFIVNCMCN-UHFFFAOYSA-L
XLogP-6.23
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 5-6.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
CID 159583722
sodium methoxy-oxido-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 23699418
methylazanium;methyl phosphate
CID 141397686
lithium;iron(3+);methyl phosphate
CID 173011115
trisodium;butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane;di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 160846660
zinc bis(methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane)
CID 87748746
azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten
CID 174799689
zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 88795040
[oxido(sulfido)phosphinothioyl] dihydrogen phosphate
CID 15954988
trisodium;thiophosphate;nonahydrate
CID 165360175
zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
CID 87788943
1-[methoxy(oxido)phosphinothioyl]oxy-3-[methoxy(sulfido)phosphoryl]oxypropan-2-ol
CID 58974546

Frequently Asked Questions

What is the IUPAC name of disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane (CID 172832566) is disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane is COP([O-])(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is VSBORNFIVNCMCN-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5O2PS2.2Na/c1-3-4(2,5)6;;/h1H3,(H2,2,5,6);;/q;2*+1/p-2.
What are the key properties of disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane?
disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 188.12 g/mol, XLogP of -6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 172832566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).