O,O,O-Tris(4-aminophenyl) phosphorothioate - ≥97% , CAS No.52664-35-4

CAS: 52664-35-4 Cat. No.: O589367 Molecular Weight: 387.39 EC Number: 258-083-6

GRADE & PURITY ≥97%

Synonyms

EINECS 258-083-6 | 4-bis(4-aminophenoxy)phosphinothioyloxyaniline | DTXSID70967095 | SCHEMBL349378 | AKOS015894715 | FT-0640092 | Tris(4-aminophenyl) thiophosphate | F20685 | W-111054 | o,o,o-tris(4-aminophenyl) phosphorothioate | Thionophosphoric acid- t

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 258-083-6 | 4-bis(4-aminophenoxy)phosphinothioyloxyaniline | DTXSID70967095 | SCHEMBL349378 | AKOS015894715 | FT-0640092 | Tris(4-aminophenyl) thiophosphate | F20685 | W-111054 | o, o, o-tris(4-aminophenyl) phosphorothioate | Thionophosphoric acid- t

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1N)OP(=S)(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
• IUPAC Name: 4-bis(4-aminophenoxy)phosphinothioyloxyaniline
• InChIKey: MBUAAMOJATXYKR-UHFFFAOYSA-N
• INCHI: 1S/C18H18N3O3PS/c19-13-1-7-16(8-2-13)22-25(26,23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H,19-21H2
• Isomeric SMILES: C1=CC(=CC=C1N)OP(=S)(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
• Molecular Weight: 387.39
• Reaxy-Rn: 2674304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2674304&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Phenyl thiophosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Phenyl thiophosphates
• Alternative Parents: Thiophosphate triesters Phenoxy compounds Aniline and substituted anilines Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl thiophosphate - Phenoxy compound - Aniline or substituted anilines - Thiophosphate triester - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 387.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 387.081 Da
• Monoisotopic Mass: 387.081 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhiyu Zhou, Jinnan Zhang, Juan Yang, Feng Chen, Lijin Huang.  (2025)  Solvent-free synthesis of a sulfur-containing magnetic porous organic framework for high efficiency removal of mercury.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138839]