2-Methylisothiazol-3(2H)-one compound with 5-chloro-2-methylisothiazol-3(2H)-one - 14% in H2O , CAS No.55965-84-9

CAS: 55965-84-9 Cat. No.: M193940 Molecular Weight: 264.75 EC Number: 611-341-5

GRADE & PURITY 14% in H2O

Synonyms

2-Methylisothiazol-3(2H)-one 5-chloro-2-Methylisothiazol-3(2H)-one | Kathon CG/ICP II | Bio-Perge | 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone | Tret-O-Lite XC 215 | Q26841195 | Zonen F | 2-Methylisothiazol-3(2H)-one

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methylisothiazol-3(2H)-one 5-chloro-2-Methylisothiazol-3(2H)-one | Kathon CG/ICP II | Bio-Perge | 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone | Tret-O-Lite XC 215 | Q26841195 | Zonen F | 2-Methylisothiazol-3(2H)-one

Specifications & Purity

14% in H2O

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488183330
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183330
• Canonical Smiles: CN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl
• IUPAC Name: 5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-one
• InChIKey: QYYMDNHUJFIDDQ-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3
• Isomeric SMILES: CN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl
• Molecular Weight: 264.75
• Reaxy-Rn: 11333839
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11333839&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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: Not available
• 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
• Description: 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: 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

Associated Targets(non-human)

Dolichospermum flos-aquae (8 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 264.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 263.979 Da
• Monoisotopic Mass: 263.979 Da
• Topological Polar Surface Area: 91.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 277.000
• 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

XLogP3

References

1. Xuwen Gao, Xiaoxuan Ren, Yaojia Ai, Mengwei Li, Bin Zhang, Guizheng Zou.  (2023)  Luminophore-Surface-Engineering-Enabled Low-Triggering-Potential and Coreactant-Free Electrochemiluminescence for Protein Determination.  ANALYTICAL CHEMISTRY,      [PMID:37083347] [10.1021/acs.analchem.3c00250]

2. Tao Peng, Lianhua Dong, Xiaoli Feng, Yi Yang, Xia Wang, Chunyan Niu, Zhanwei Liang, Wang Qu, Qingcui Zou, Xinhua Dai, Minghua Li, Xiang Fang.  (2023)  Relationship between SARS-CoV-2 nucleocapsid protein and N gene and its application in antigen testing kits evaluation.  TALANTA,      [PMID:36963149] [10.1016/j.talanta.2023.124462]

3. Hao Chi, Sheng Tian, Xiu Li, Yuchu Chen, Qiumin Xu, Qixiao Wang, Wenwan Shi, Michael Adu-Frimpong, Shanshan Tong.  (2023)  Construction of lipid raft-coupled agarose gels as bioaffinity chromatography materials and validation with tropomyosin-related kinase A-targeted drugs.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36731332] [10.1016/j.chroma.2023.463803]

4. Chen Ma, Dingnan Lu, Fangyuan Zhou, Jiayue Luo, Huihui Gan, Weidong He, Pradeep U. Kurup, David Z. Zhu.  (2024)  Detection of Helicobacter pylori (H. pylori) Cytoplasmic Protein (ureB) in Wastewater using an Electrochemical Competitive Immunosensor.  IEEE SENSORS JOURNAL,      [PMID:] [10.1109/JSEN.2024.3375377]

5. Tao Zhou, Zhou Liu, Xudong Ma, Chaofeng Cen, Zhangwei Huang, Yi Lu, Tiantian Kong, Cheng Qi.  (2024)  Thermally-resilient, phase-invertible, ultra-stable all-aqueous compartments by pH-modulated protein colloidal particles.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38537589] [10.1016/j.jcis.2024.03.155]