Dimethylthiophosphinoyl Chloride - ≥97% , CAS No.993-12-4

CAS: 993-12-4 Cat. No.: D154281 Molecular Weight: 128.55 EC Number: 213-606-7

GRADE & PURITY ≥97%

Synonyms

Dimethylphosphinothioyl chloride | chloro-dimethyl-sulfanylidene-lambda5-phosphane | Chlorodimethylphosphine sulfide | Dimethylthiophosphinoyl Chloride | DTXSID6075439 | MFCD00014454 | FT-0633210 | Phosphinothioic chloride, dimethyl- | D2159 | Dimethyl th

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Dimethylphosphinothioyl chloride | chloro-dimethyl-sulfanylidene-lambda5-phosphane | Chlorodimethylphosphine sulfide | Dimethylthiophosphinoyl Chloride | DTXSID6075439 | MFCD00014454 | FT-0633210 | Phosphinothioic chloride, dimethyl- | D2159 | Dimethyl th

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CP(=S)(C)Cl
• IUPAC Name: chloro-dimethyl-sulfanylidene-λ5-phosphane
• InChIKey: UGOLAPHJCTVIEW-UHFFFAOYSA-N
• INCHI: 1S/C2H6ClPS/c1-4(2,3)5/h1-2H3
• Isomeric SMILES: CP(=S)(C)Cl
• NSC Number: 3265
• Packing Group: II
• Molecular Weight: 128.55
• Reaxy-Rn: 906761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organothiophosphorus compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: 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: 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: Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.54
• Boil Point(°C): 78°C/15mmHg(lit.)
• Molecular Weight: 128.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.962 Da
• Monoisotopic Mass: 127.962 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 64.000
• 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. Man Du, Baolong Huo, Mengwen Li, Ao Shen, Xue Bai, Yaru Lai, Jiemin Liu, Yunxu Yang.  (2018)  A “Turn-On” fluorescent probe for sensitive and selective detection of fluoride ions based on aggregation-induced emission.  RSC Advances,  8  (57): (32497-32505).  [PMID:35547726] [10.1039/C8RA06774K]

2. Man Du, Baolong Huo, Jiemin Liu, Mengwen Li, Leqiu Fang, Yunxu Yang.  (2018)  A near-infrared fluorescent probe for selective and quantitative detection of fluoride ions based on Si-Rhodamine.  ANALYTICA CHIMICA ACTA,      [PMID:30032767] [10.1016/j.aca.2018.05.013]