N-Iodosaccharin - ≥98%(T) , CAS No.86340-94-5

CAS: 86340-94-5 Cat. No.: N159633 Formula: C₇H₄INO₃S Peso molecolare: 309.08 Beilstein Registry Number: 27(2)220 Numero EC: 691-504-5

GRADE & PURITY ≥98%(T)

Synonyms

MFCD09037939 | 2-iodo-1,1-dioxo-1,2-benzothiazol-3-one | SCHEMBL358829 | T73010 | 2-Iodobenzo[d]isothiazol-3(2H)-one 1,1-dioxide | 1,2-Benzisothiazol-3(2H)-one, 2-iodo-, 1,1-dioxide | UNII-11WJR74OBI | 11WJR74OBI | Q27251345 | A857278 | AKOS028108826 | AM

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

MFCD09037939 | 2-iodo-1,1-dioxo-1,2-benzothiazol-3-one | SCHEMBL358829 | T73010 | 2-Iodobenzo[d]isothiazol-3(2H)-one 1,1-dioxide | 1,2-Benzisothiazol-3(2H)-one, 2-iodo-, 1,1-dioxide | UNII-11WJR74OBI | 11WJR74OBI | Q27251345 | A857278 | AKOS028108826 | AM

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(T)

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)I

IUPAC Name

2-iodo-1,1-dioxo-1,2-benzothiazol-3-one

InChIKey

XQKQROJYWLWDMP-UHFFFAOYSA-N

INCHI

1S/C7H4INO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H

Isomeri SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)I

Peso molecolare

309.08

Beilstein

27(2)220

Reaxy-Rn

177561

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177561&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-benzothiazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur 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

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Peso molecolare: 309.080 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 308.896 Da
• Monoisotopic Mass: 308.896 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 334.000
• 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

Domande frequenti

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86340-94-5, the molecular formula is C7H4INO3S, and the molecular weight is 309.08 g/mol. InChIKey XQKQROJYWLWDMP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.