O,O'-Dimethyl Dithiophosphate - ≥85% , CAS No.756-80-9

CAS: 756-80-9 Cat. No.: O304565 Molecular Weight: 158.17 EC Number: 212-053-9

GRADE & PURITY ≥85%

Synonyms

Phosphorodithioic acid, O,O-dimethyl ester | UNII-4K09JRW4Z6 | Kwas dwumetylo-dwutiofosforowy | 4K09JRW4Z6 | Kyselina O,O-dimethyldithiofosforcna [Czech] | AM84932 | Dimethylphosphorodithioate | SCHEMBL398727 | O,O-Dimethylphosphorodithioate | CZGGKXNYNPJ

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Phosphorodithioic acid, O, O-dimethyl ester | UNII-4K09JRW4Z6 | Kwas dwumetylo-dwutiofosforowy | 4K09JRW4Z6 | Kyselina O, O-dimethyldithiofosforcna [Czech] | AM84932 | Dimethylphosphorodithioate | SCHEMBL398727 | O, O-Dimethylphosphorodithioate | CZGGKXNYNPJ

Specifications & Purity

≥85%

Storage

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

≥85%

Names and Identifiers

• Pubchem Sid: 488181755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181755
• Canonical Smiles: COP(=S)(OC)S
• IUPAC Name: dimethoxy-sulfanyl-sulfanylidene-λ5-phosphane
• InChIKey: CZGGKXNYNPJFAX-UHFFFAOYSA-N
• INCHI: 1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)
• Isomeric SMILES: COP(=S)(OC)S
• Molecular Weight: 158.17
• Reaxy-Rn: 635993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic dithiophosphoric acids and derivatives
      • Subclass Dithiophosphate O-esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic dithiophosphoric acids and derivatives
• Subclass: Dithiophosphate O-esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphorodithioic acid O,O-diesters
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphorodithioic acid o,o-diester - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphorodithioic acid o,o-diesters. These are organooxygen compounds that contain a phosphorodithioic acid, which is O,O-disubstituted by an organyl 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

• Sensitivity: Air & Heat sensitive
• Refractive Index: 1.53
• Flash Point(°C): 48 °C
• Boil Point(°C): 57°C/4 mmHg
• Molecular Weight: 158.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 157.963 Da
• Monoisotopic Mass: 157.963 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 85.700
• 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