Record Information
Version1.0
Creation Date2016-05-19 02:56:25 UTC
Update Date2016-11-09 01:13:54 UTC
Accession NumberCHEM008997
Identification
Common NamePhosphorothioic acid, trisodium salt
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Trisodium phosphorothioic acidGenerator
Sodium thiophosphoric acidGenerator
ThiophosphateMeSH
Thiophosphoric acidMeSH
Thiophosphoric acid, trisodium saltMeSH
Diethyl thiophosphateMeSH
Chemical FormulaNa3O3PS
Average Molecular Mass180.000 g/mol
Monoisotopic Mass179.900 g/mol
CAS Registry Number10101-88-9
IUPAC Nametrisodium phosphorothioate
Traditional Nametrisodium thiophosphate
SMILES[Na+].[Na+].[Na+].[O-]P([O-])([O-])=S
InChI IdentifierInChI=1S/3Na.H3O3PS/c;;;1-4(2,3)5/h;;;(H3,1,2,3,5)/q3*+1;/p-3
InChI KeyRIFYBBXGYKFBFC-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal thiophosphates. These are inorganic compounds in which the largest oxoanion is thiophosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal thiophosphates
Direct ParentAlkali metal thiophosphates
Alternative Parents
Substituents
  • Alkali metal thiophosphate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.13ChemAxon
pKa (Strongest Acidic)2.42ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area69.18 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.28 m³·mol⁻¹ChemAxon
Polarizability6.99 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-6d87bb0ddc7f69e9003aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-6d87bb0ddc7f69e9003aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-6d87bb0ddc7f69e9003aSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available