1,2,4-Tributylphosphorotrithioate - analytical standard , CAS No.78-48-8

CAS: 78-48-8 Cat. No.: T114221 Peso molecular: 314.51 Número EC: 201-120-8 PubChem CID: 5125

GRADE & PURITY Analytical standard

Synonyms

Tribufos|78-48-8|Butifos|Butyl phosphorotrithioate|DEF defoliant|S,S,S-TRIBUTYL PHOSPHOROTRITHIOATE|Butiphos|Merphos oxide|S,S,S-Tributyl trithiophosphate|Tribuphos|TBTP|Phosphorotrithioic acid, S,S,S-tributyl ester|De-Green|Fos-Fall A|E-Z-Off D|Ortho pho

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

Tribufos | 78-48-8 | Butifos | Butyl phosphorotrithioate | DEF defoliant | S, S, S-TRIBUTYL PHOSPHOROTRITHIOATE | Butiphos | Merphos oxide | S, S, S-Tributyl trithiophosphate | Tribuphos | TBTP | Phosphorotrithioic acid, S, S, S-tributyl ester | De-Green | Fos-Fall A | E-Z-Off D | Ortho pho

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCCCSP(=O)(SCCCC)SCCCC
• IUPAC Name: 1-bis(butylsulfanyl)phosphorylsulfanylbutane
• InChIKey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
• INCHI: 1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
• Isómeros SMILES: CCCCSP(=O)(SCCCC)SCCCC
• WGK Alemania: 3
• RTECS: TG5425000
• PubChem CID: 5125
• Número ONU: 2811
• Grupo de embalaje: I
• Peso molecular: 314.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Clase Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Clase: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively.
• External Descriptors: organic thiophosphate

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

Objetivos asociados (humanos)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Tetranychus urticae (2600 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 314.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 314.096 Da
• Monoisotopic Mass: 314.096 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 179.000
• 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

Referencias

1. Chao Hu, Cong Zhang, Yi-Fan Tang, Yu-Xi Liu, Zi-Nan Xia, Yan Wang, Wei-Tu Li, Ping Gao, Yu-Ting Li, Yun-Tong Lv, Xue-Qing Yang.  (2024)  Stability, Inheritance, Cross-Resistance, and Fitness Cost of Resistance to λ-Cyhalothrin in Cydia pomonella.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39385681] [10.1021/acs.jafc.4c07166]

2. Xiudao Yu, Benjamin J Hunt, Shuchao Wang, Bartlomiej J Troczka, Chaozhi Shangguan, Wenhong Zhu, Yinhui Kuang, Chris Bass.  (2026)  A chromosome-level genome assembly and multi-omics analysis reveal fenpropathrin resistance mechanisms in the turnip aphid, Lipaphis erysimi.  PEST MANAGEMENT SCIENCE,      [PMID:] [10.1002/ps.70744]