Famphur (CHEM003957)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-19 01:30:33 UTC
Update Date2026-08-18 02:00:05 UTC
Accession NumberCHEM003957
Identification
Common NameFamphur
ClassSmall Molecule
DescriptionFamphur is an organic compound with the formula C10H16NO5PS2 and an average molecular weight of 325.33 g/mol. Famphur belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds. This substance has been identified in two recorded sources, including food preservation within food, food processing, and cookware, as well as perfumes within detergents and soaps used in household cleaning and consumer products.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
FamophosChEBI
O-[4-(Dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphateChEBI
Phosphorothioic acid, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl esterChEBI
O-[4-(Dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphoric acidGenerator
O-[4-(Dimethylsulphamoyl)phenyl] O,O-dimethyl thiophosphateGenerator
O-[4-(Dimethylsulphamoyl)phenyl] O,O-dimethyl thiophosphoric acidGenerator
Phosphorothioate, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl esterGenerator
Phosphorothioate, O-(4-((dimethylamino)sulphonyl)phenyl) O,O-dimethyl esterGenerator
Phosphorothioic acid, O-(4-((dimethylamino)sulphonyl)phenyl) O,O-dimethyl esterGenerator
4-Dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulphonamideGenerator
O,O-Dimethyl O-P-(dimethylsulfamoyl)phenylphosphorothioateMeSH
FamphurMeSH
VarbexMeSH
WarbexMeSH
Chemical FormulaC10H16NO5PS2
Average Molecular Mass325.330 g/mol
Monoisotopic Mass325.021 g/mol
CAS Registry Number52-85-7
IUPAC NameO-4-(dimethylsulfamoyl)phenyl O,O-dimethyl phosphorothioate
Traditional Namefamphur
SMILESCOP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI IdentifierInChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
InChI KeyJISACBWYRJHSMG-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic thiophosphoric acids and derivatives
Sub ClassThiophosphoric acid esters
Direct ParentPhenyl thiophosphates
Alternative Parents
Substituents
  • Phenyl thiophosphate
  • Benzenesulfonamide
  • Benzenesulfonyl group
  • Phenoxy compound
  • Thiophosphate triester
  • Monocyclic benzene moiety
  • Organosulfonic acid amide
  • Benzenoid
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Aminosulfonyl compound
  • Sulfonyl
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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
Water Solubility0.23 g/LALOGPS
logP2.15ALOGPS
logP1.71ChemAxon
logS-3.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area65.07 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity77.82 m³·mol⁻¹ChemAxon
Polarizability29.65 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0009000000-d4767169c3fd8c88b945Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0039000000-2f9860955098915d158bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-6494000000-954911f62716a756e639Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-0019000000-07cfbfab6e2010ffe16aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00e9-0195000000-b2a76cb4b1381323c8a6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-1391000000-8acb1ce8950d7a840973Spectrum
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 IDDB11408
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 ID38677
PubChem Compound ID5859
Kegg Compound IDC18658
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available