Chloramine T - ≥98% , CAS No.127-65-1

CAS: 127-65-1 Cat. No.: C684215 Formula: C₇H₇ClNNaO₂S Molecular Weight: 227.65 EC Number: 204-854-7 PubChem CID: 3641960

GRADE & PURITY ≥98%

Synonyms

Tosylchloramide sodium | N-Chloro-4-toluenesulfonamide sodium salt | N-Chloro-4-methylbenzenesulfonamide,sodiumsalthydrate | Sodium Chloro(tosyl)amide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Tosylchloramide sodium | N-Chloro-4-toluenesulfonamide sodium salt | N-Chloro-4-methylbenzenesulfonamide,sodiumsalthydrate | Sodium Chloro(tosyl)amide

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

528772752

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772752

Canonical Smiles

CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]

IUPAC Name

sodium;chloro-(4-methylphenyl)sulfonylazanide

InChIKey

VDQQXEISLMTGAB-UHFFFAOYSA-N

INCHI

1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]

PubChem CID

3641960

Molecular Weight

227.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids and derivatives Organic metal halides Organic sodium salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic metal halide - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: organic sodium salt

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 227.640 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.978 Da
• Monoisotopic Mass: 226.978 Da
• Topological Polar Surface Area: 43.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 231.000
• 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: 2

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