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2634-33-5,MFCD00044001
Catalog No.:AA0032HI

2634-33-5 | 1,2-Benzisothiazol-3(2H)-one

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5g
99%(GC)
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$24.00   $17.00
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25g
99%(GC)
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$34.00   $24.00
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100g
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500g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0032HI
Chemical Name:
1,2-Benzisothiazol-3(2H)-one
CAS Number:
2634-33-5
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00044001
SMILES:
Oc1nsc2c1cccc2
Properties
Properties
 
BP:
360°C (rough estimate)  
Form:
Solid  
MP:
154-158 °C(lit.)  
Refractive Index:
1.5500 (estimate)  
Solubility:
Soluble in dichloromethane, dimethyl sulfoxide, methanol.  
Storage:
Light sensitive;Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.3  

Literature

Title: SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20160401

Title: Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20150601

Title: Synthesis of some new benzisothiazolone and benzenesulfonamide derivatives of biological interest starting from saccharin sodium.

Journal: Archiv der Pharmazie 20131001

Title: Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen.

Journal: The Journal of biological chemistry 20130329

Title: Systemic allergic dermatitis following airborne exposure to 1,2-benzisothiazolin-3-one.

Journal: Contact dermatitis 20121101

Title: 2-[(3-Bromo-anilino)meth-yl]-1,2-benzo-thia-zol-3(2H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Concise approach to benzisothiazol-3(2H)-one via copper-catalyzed tandem reaction of o-bromobenzamide and potassium thiocyanate in water.

Journal: The Journal of organic chemistry 20120420

Title: Inhibition of Dengue virus and West Nile virus proteases by click chemistry-derived benz[d]isothiazol-3(2H)-one derivatives.

Journal: Bioorganic & medicinal chemistry 20120201

Title: Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone.

Journal: Bioorganic & medicinal chemistry letters 20111215

Title: 2-(3-Oxo-2,3-dihydro-1,2-benzothia-zol-2-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Butyl 3-oxo-2,3-dihydro-benzo[d][1,2]thia-zole-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Phosphomannose isomerase inhibitors improve N-glycosylation in selected phosphomannomutase-deficient fibroblasts.

Journal: The Journal of biological chemistry 20111111

Title: Activated soil filters for removal of biocides from contaminated run-off and waste-waters.

Journal: Chemosphere 20111101

Title: Antifungal activity of a series of 1,2-benzisothiazol-3(2H)-one derivatives.

Journal: Bioorganic & medicinal chemistry 20111001

Title: Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110901

Title: Ethyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Propyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Benzisothiazolones as modulators of macrophage migration inhibitory factor.

Journal: Bioorganic & medicinal chemistry letters 20110801

Title: 2-Ethyl-2,3-dihydro-1,2-benzothia-zole-1,1,3-trione.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats.

Journal: Journal of medicinal chemistry 20110113

Title: Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening.

Journal: ChemMedChem 20101203

Title: Analysis of isothiazolinone biocides in paper for food packaging by ultra-high-performance liquid chromatography-tandem mass spectrometry.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Determination of biocides and pesticides by on-line solid phase extraction coupled with mass spectrometry and their behaviour in wastewater and surface water.

Journal: Environmental pollution (Barking, Essex : 1987) 20101001

Title: A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.

Journal: Cutaneous and ocular toxicology 20100901

Title: Tandem 1,5-hydride shift/1,5-S,N-cyclization with ethylene extrusion of 1,3-oxathiolane-substituted ketenimines and carbodiimides. An experimental and computational study.

Journal: The Journal of organic chemistry 20100604

Title: Consumer exposure to biocides--identification of relevant sources and evaluation of possible health effects.

Journal: Environmental health : a global access science source 20100101

Title: Dig1 protects against cell death provoked by glyphosate-based herbicides in human liver cell lines.

Journal: Journal of occupational medicine and toxicology (London, England) 20100101

Title: Allergic contact dermatitis to 1,2-benzisothiazolin-3-one in the water softener manufacturing industry.

Journal: Contact dermatitis 20090901

Title: Anti-HIV evaluation of benzo[d]isothiazole hydrazones.

Journal: European journal of medicinal chemistry 20090401

Title: One-pot, three-component, domino Heck-aza-Michael approach to libraries of functionalized 1,1-dioxido-1,2-benzisothiazoline-3-acetic acids.

Journal: Journal of combinatorial chemistry 20090101

Title: Analysis of allergens in metalworking fluids.

Journal: Contact dermatitis 20081101

Title: 2-Methyl-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: 1,2-benzisothiazolin-3-one in disposable polyvinyl chloride gloves for medical use.

Journal: Contact dermatitis 20071201

Title: Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20070914

Title: Novel alternative for the N-S bond formation and its application to the synthesis of benzisothiazol-3-ones.

Journal: Organic letters 20061012

Title: Antimicrobial allergy from polyvinyl chloride gloves.

Journal: Archives of dermatology 20061001

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Contact urticaria from carboxymethylcellulose in white chalk.

Journal: Dermatitis : contact, atopic, occupational, drug 20060301

Title: Occupational contact dermatitis to 1,2-benzisothiazolin-3-one and 5-chloro-2-methylisothiazolin-3-one/2-methylisothiazolin-3-one in paint manufacturers.

Journal: Contact dermatitis 20050801

Title: Preservatives in registered chemical products.

Journal: Contact dermatitis 20050701

Title: Occupational contact allergy and dermatitis from methylisothiazolinone after contact with wallcovering glue and after a chemical burn from a biocide.

Journal: Dermatitis : contact, atopic, occupational, drug 20041201

Title: Patch test results with the metalworking fluid series of the German Contact Dermatitis Research Group (DKG).

Journal: Contact dermatitis 20040901

Title: Re: Marchetti MG, Finzi G, Cugini P, Manfrini M, Salvatorelli G. Hospital use of decontaminating mats. J Hosp Infect 2003;55:68-72.

Journal: The Journal of hospital infection 20040201

Title: Occupational allergic contact dermatitis caused by 1,2-benzisothiazolin-3-one in a varnish maker, followed by sensitization to benzalkonium chloride in Oilatum Plus bath additive.

Journal: Contact dermatitis 20040201

Title: Suppression of breast cancer by chemical modulation of vulnerable zinc fingers in estrogen receptor.

Journal: Nature medicine 20040101

Title: pH-partition profiles of 4-(3-oxo-1,2-benzisothiazolin-2-yl)phenyl and phenoxyalkanoic acids.

Journal: Farmaco (Societa chimica italiana : 1989) 20030901

Title: Occupational allergic contact dermatitis from 1,2-benzisothiazolin-3-one without cross-sensitization to other isothiazolinones.

Journal: Contact dermatitis 20030401

Title: Lipophilicity of a series of 1,2-benzisothiazol-3(2H)-ones determined by reversed-phase thin-layer chromatography.

Journal: Journal of chromatography. A 20020405

Title: trans-Bis(diethanolamine-N,O)bis(saccharinato-N)cadmium(II).

Journal: Acta crystallographica. Section C, Crystal structure communications 20020101

Title: On the short carbonyl bond in bis[mu-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappa2N:O]bis[[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappaN]bis(imidazole)copper(II)].

Journal: Acta crystallographica. Section C, Crystal structure communications 20010901

Title: A colorimetric assay for high-throughput screening of inhibitors of herpes simplex virus type 1 alkaline nuclease.

Journal: Analytical biochemistry 20010615

Title: trans-Bis(ethanolamine-N,O)bis(saccharinato-N)copper(II).

Journal: Acta crystallographica. Section C, Crystal structure communications 20010301

Title: In vitro anti-Mycobacterium avium activity of N-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one and -thione carbamic esters.

Journal: Archiv der Pharmazie 19960101

Title: Contact dermatitis due to benzisothiazolone in a works analytical team.

Journal: Contact dermatitis 19800401

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