2-Methyl-4-isothiazolin-3-one(MIT) - ≥95% , CAS No.2682-20-4

CAS: 2682-20-4 Cat. No.: M110103 Peso molecular: 115.15 Beilstein Registry Number: 606203 Número EC: 220-239-6

GRADE & PURITY ≥95%

Synonyms

Methylisothiazolinone free base | METHYLISOTHIAZOLINONE [VANDF] | Acticide M 10 | Caswell No. 572A | 3(2H)-Isothiazolone, 2-methyl- | Bestcide 600 | METHYLISOTHIAZOLINONE [MI] | n-methylisothiazolin-3-one | Tox21_303814 | CHEBI:53620 | METHYLISOTHIAZOLINO

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Methyl-4-isothiazolin-3-one is a potent biocide useful for controlling microbial growth.
A potent biocide useful for controlling microbial growth

Methylothiazolinone is a bacterial and fungal inhibitor and preservative, as well as a sensitizer. Methylisothiazolinone can activate matrix metalloproteinases (MMPs) in human bronchial epithelial cells to induce apoptosis and inflammatory response. Methylisothiazolinone can promote the development of atopic dermatitis in mice by disrupting Th2/Th17 related immune responses. Methylisothiazolinone can cause mitochondrial damage in the endothelium of rat cerebral blood vessels.

Specifications

Sinónimos

Methylisothiazolinone free base | METHYLISOTHIAZOLINONE [VANDF] | Acticide M 10 | Caswell No. 572A | 3(2H)-Isothiazolone, 2-methyl- | Bestcide 600 | METHYLISOTHIAZOLINONE [MI] | n-methylisothiazolin-3-one | Tox21_303814 | CHEBI:53620 | METHYLISOTHIAZOLINO

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1C(=O)C=CS1
• IUPAC Name: 2-methyl-1,2-thiazol-3-one
• InChIKey: BEGLCMHJXHIJLR-UHFFFAOYSA-N
• INCHI: 1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
• Isómeros SMILES: CN1C(=O)C=CS1
• WGK Alemania: 3
• RTECS: NX8157080
• Número ONU: 3261
• Peso molecular: 115.15
• Beilstein: 606203
• Reaxy-Rn: 606203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• External Descriptors: 1,2-thiazole

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 115.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.009 Da
• Monoisotopic Mass: 115.009 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 121.000
• 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

Referencias

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