Methanesulfinyl chloride - ≥90% , CAS No.676-85-7

CAS: 676-85-7 Cat. No.: M589856 Molecular Weight: 98.55 EC Number: 820-135-6

GRADE & PURITY ≥90%

Synonyms

EN300-182245 | DTXSID90338329 | METHANESULFINYLCHLORIDE | methanesulphinyl chloride | methylsulphinyl chloride | CH3SOCl | Methanesulfinyl chloride | methane sulfinyl chloride | Methane sulfinylchloride | F76240 | methansulfinylchlorid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EN300-182245 | DTXSID90338329 | METHANESULFINYLCHLORIDE | methanesulphinyl chloride | methylsulphinyl chloride | CH3SOCl | Methanesulfinyl chloride | methane sulfinyl chloride | Methane sulfinylchloride | F76240 | methansulfinylchlorid

Specifications & Purity

≥90%

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

≥90%

Names and Identifiers

• Canonical Smiles: CS(=O)Cl
• IUPAC Name: methanesulfinyl chloride
• InChIKey: LURSUHVHQZXABT-UHFFFAOYSA-N
• INCHI: 1S/CH3ClOS/c1-4(2)3/h1H3
• Isomeric SMILES: CS(=O)Cl
• Molecular Weight: 98.55
• Reaxy-Rn: 1734751
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734751&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Sulfinic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Sulfinic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinic acids and derivatives
• Alternative Parents: Sulfinyl halides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfinyl halide - Sulfinic acid derivative - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfinic acids and derivatives. These are compounds derived from sulfinic acid, with the general formula RS(=O)R' ( R not H, R'=any heteroatom).
• 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
• Molecular Weight: 98.550 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.9593 Da
• Monoisotopic Mass: 97.9593 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 35.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1