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

CAS: 15953-83-0 Cat. No.: C478726 Summenformel: C₃H₅ClO₂S Molekulargewicht: 140.59 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

C1C(CS1(=O)=O)Cl

Molekulargewicht

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
    • Klasse Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Molekulargewicht: 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