1-Allylcyclopropane-1-sulfonyl Chloride - ≥98% , CAS No.923032-59-1

CAS: 923032-59-1 Cat. No.: A339715 Molecular Weight: 180.65 EC Number: 854-763-7

GRADE & PURITY ≥98%

Synonyms

AQYNREAFYINZPS-UHFFFAOYSA-N | DTXSID00657735 | 1-allyl-cyclopropane sulfonyl chloride | EN300-275901 | Q-100969 | 1-allylcyclopropane-1-sulfonvl chloride | AC-6944 | 1-Allylcyclopropane-1-sulfonyl chloride | AKOS006309974 | AMY2936 | 1-(prop-2-en-1-yl)cyc

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

1-Allylcyclopropane-1-sulfonyl Chloride is a MEK inhibitor.

Specifications

Synonyms

AQYNREAFYINZPS-UHFFFAOYSA-N | DTXSID00657735 | 1-allyl-cyclopropane sulfonyl chloride | EN300-275901 | Q-100969 | 1-allylcyclopropane-1-sulfonvl chloride | AC-6944 | 1-Allylcyclopropane-1-sulfonyl chloride | AKOS006309974 | AMY2936 | 1-(prop-2-en-1-yl)cyc

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C=CCC1(CC1)S(=O)(=O)Cl
• IUPAC Name: 1-prop-2-enylcyclopropane-1-sulfonyl chloride
• InChIKey: AQYNREAFYINZPS-UHFFFAOYSA-N
• INCHI: 1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2
• Isomeric SMILES: C=CCC1(CC1)S(=O)(=O)Cl
• Molecular Weight: 180.65
• Reaxy-Rn: 11444874
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11444874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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 chloroform.
• Refractive Index: n20D1.52 (Predicted)
• Boil Point(°C): 229.21° C at 760 mmHg (Predicted)
• Molecular Weight: 180.650 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.001 Da
• Monoisotopic Mass: 180.001 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 233.000
• 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