3,3,4,4-Tetrachlorosulfolane - ≥96%(T) , CAS No.3737-41-5

CAS: 3737-41-5 Cat. No.: T161722 Molecular Weight: 257.93 EC Number: 223-113-9 PubChem CID: 77328

GRADE & PURITY ≥96%(T)

Synonyms

DAC 649 | Q27289245 | 3,3,4,4-tetrachloro-sulpholane | T72383 | InChI=1/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2 | 3,3,4,4-Tetrachlorotetrahydrothiophene-1,1-dioxide | 3,3,4,4-Tetrachlorotetrahydrothiophene1,1-dioxide | MFCD00154882 | p-chlorophenylac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DAC 649 | Q27289245 | 3, 3, 4, 4-tetrachloro-sulpholane | T72383 | InChI=1/C4H4Cl4O2S/c5-3(6)1-11(9, 10)2-4(3, 7)8/h1-2H2 | 3, 3, 4, 4-Tetrachlorotetrahydrothiophene-1, 1-dioxide | 3, 3, 4, 4-Tetrachlorotetrahydrothiophene1, 1-dioxide | MFCD00154882 | p-chlorophenylac

Specifications & Purity

≥96%(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%(T)

Names and Identifiers

• Canonical Smiles: C1C(C(CS1(=O)=O)(Cl)Cl)(Cl)Cl
• IUPAC Name: 3,3,4,4-tetrachlorothiolane 1,1-dioxide
• InChIKey: GCAXGCSCRRVVLF-UHFFFAOYSA-N
• INCHI: 1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2
• Isomeric SMILES: C1C(C(CS1(=O)=O)(Cl)Cl)(Cl)Cl
• RTECS: XN0870000
• PubChem CID: 77328
• Molecular Weight: 257.93
• Reaxy-Rn: 1425561

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiolanes
• Alternative Parents: Sulfones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiolane - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
• 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Melt Point(°C): 174 °C
• Molecular Weight: 257.899 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 257.866 Da
• Monoisotopic Mass: 255.869 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 240.000
• 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