The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2-(1-methanesulfonylazetidin-3-ylidene)acetonitrile - 97%, high purity , CAS No.1638759-68-8
Discover 2-(1-methanesulfonylazetidin-3-ylidene)acetonitrile by Aladdin Scientific in 97% for only $163.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Organosulfonamides
Alternative Parents
Organic sulfonamides Sulfonyls Azetidines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Organic sulfonic acid amide - Organosulfonic acid amide - Sulfonyl - Azetidine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
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.
Names and Identifiers
IUPAC Name
2-(1-methylsulfonylazetidin-3-ylidene)acetonitrile
INCHI
InChI=1S/C6H8N2O2S/c1-11(9,10)8-4-6(5-8)2-3-7/h2H,4-5H2,1H3
InChIKey
FGOZHRWKUFMAHD-UHFFFAOYSA-N
Smiles
CS(=O)(=O)N1CC(=CC#N)C1
Isomeric SMILES
CS(=O)(=O)N1CC(=CC#N)C1
Molecular Weight
172.2
Reaxy-Rn
29958063
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29958063&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
172.210 g/mol
XLogP3
-1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
172.031 Da
Monoisotopic Mass
172.031 Da
Topological Polar Surface Area
69.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
319.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
