3-Chlorothiete 1,1-dioxide - ≥95% , CAS No.15953-83-0

CAS: 15953-83-0 Cat. No.: C478726 Molecular Weight: 140.59 EC Number: 886-402-4

GRADE & PURITY ≥95%

Synonyms

MFCD01318455 | 3-Chloro-1lambda~6~-thietane-1,1-dione | SCHEMBL4925055 | BB 0261130 | 3-Chlorothietane1,1-dioxide | 3-CHLOROTHIETE 1,1-DIOXIDE | Thietane, 3-chloro-, 1,1-dioxide | J-512344 | MHGRPTSHTMXAKQ-UHFFFAOYSA- | AKOS006278155 | FT-0657286 | NSC101

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD01318455 | 3-Chloro-1lambda~6~-thietane-1, 1-dione | SCHEMBL4925055 | BB 0261130 | 3-Chlorothietane1, 1-dioxide | 3-CHLOROTHIETE 1, 1-DIOXIDE | Thietane, 3-chloro-, 1, 1-dioxide | J-512344 | MHGRPTSHTMXAKQ-UHFFFAOYSA- | AKOS006278155 | FT-0657286 | NSC101

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C1C(CS1(=O)=O)Cl
• IUPAC Name: 3-chlorothietane 1,1-dioxide
• InChIKey: MHGRPTSHTMXAKQ-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
• Isomeric SMILES: C1C(CS1(=O)=O)Cl
• Molecular Weight: 140.59
• Reaxy-Rn: 1281175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Thietanes Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfone - Thietane - Organoheterocyclic compound - 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 sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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: Heat sensitive
• Molecular Weight: 140.590 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.97 Da
• Monoisotopic Mass: 139.97 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 142.000
• 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