trisodium;thiophosphate;nonahydrate

H18Na3O12PS — CID 165360175

IUPACtrisodium;thiophosphate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=S
InChIInChI=1S/3Na.H3O3PS.9H2O/c;;;1-4(2,3)5;;;;;;;;;/h;;;(H3,1,2,3,5);9*1H2/q3*+1;;;;;;;;;;/p-3
InChIKeyKGZBZRPZTFGJAF-UHFFFAOYSA-K
MW342.14 g/mol
LogP-19.12
Rot. Bonds

About trisodium;thiophosphate;nonahydrate

trisodium;thiophosphate;nonahydrate (PubChem CID 165360175) has the molecular formula H18Na3O12PS and a molecular weight of 342.14 g/mol. Its IUPAC name is trisodium;thiophosphate;nonahydrate.

Molecular Properties

Compound Nametrisodium;thiophosphate;nonahydrate
PubChem CID165360175
Molecular FormulaH18Na3O12PS
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Nametrisodium;thiophosphate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=S
InChIInChI=1S/3Na.H3O3PS.9H2O/c;;;1-4(2,3)5;;;;;;;;;/h;;;(H3,1,2,3,5);9*1H2/q3*+1;;;;;;;;;;/p-3
InChIKeyKGZBZRPZTFGJAF-UHFFFAOYSA-K
XLogP-19.12
TPSA352.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 5-19.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper;indium(3+);thiophosphate
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trisodium;phosphate;dodecahydrate
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trisodium;phosphate;pentahydrate
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butane;tetrasulfide;dithiophosphate
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tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate
CID 173423706
copper;carbamate;thiophosphate
CID 157426335
disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 172832566
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
CID 170850432
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829

Frequently Asked Questions

What is the IUPAC name of trisodium;thiophosphate;nonahydrate?
The IUPAC name of trisodium;thiophosphate;nonahydrate (CID 165360175) is trisodium;thiophosphate;nonahydrate.
What is the SMILES notation for trisodium;thiophosphate;nonahydrate?
The canonical SMILES for trisodium;thiophosphate;nonahydrate is O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=S.
What is the InChIKey of trisodium;thiophosphate;nonahydrate?
The InChIKey is KGZBZRPZTFGJAF-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H3O3PS.9H2O/c;;;1-4(2,3)5;;;;;;;;;/h;;;(H3,1,2,3,5);9*1H2/q3*+1;;;;;;;;;;/p-3.
What are the key properties of trisodium;thiophosphate;nonahydrate?
trisodium;thiophosphate;nonahydrate has a molecular weight of 342.14 g/mol, XLogP of -19.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;thiophosphate;nonahydrate is sourced from PubChem (CID 165360175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).