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1003-07-2 | thiazol-3-one
CAS No: 1003-07-2 Catalog No: AG0001HV MDL No:MFCD09834764
Product Description
Catalog Number:
AG0001HV
Chemical Name:
thiazol-3-one
CAS Number:
1003-07-2
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
MDL Number:
MFCD09834764
IUPAC Name:
1,2-thiazol-3-one
InChI:
InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
InChI Key:
MGIYRDNGCNKGJU-UHFFFAOYSA-N
SMILES:
O=c1ccs[nH]1
UNII:
E57JT172V7
NSC Number:
93489
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| A patient's drawing helped the physician to make the correct diagnosis: occupational contact allergy to isothiazolinone. | Contact dermatitis 20120901 |
| Effects of parabens and isothiazolinone on the microbiological quality of baby shampoo: the challenge test. | Biocontrol science 20120101 |
| Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak. | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110901 |
| Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors. | Bioorganic & medicinal chemistry 20110615 |
| Biocide-containing varnish for the protection of sandstone: comparison of formulations and laboratory test methods. | Current microbiology 20110601 |
| [Determination of 3 isothiazolinone preservatives in toys using liquid chromatography-tandem mass spectrometry]. | Se pu = Chinese journal of chromatography 20110601 |
| Analysis of isothiazolinone biocides in paper for food packaging by ultra-high-performance liquid chromatography-tandem mass spectrometry. | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101201 |
| Consumer exposure to biocides--identification of relevant sources and evaluation of possible health effects. | Environmental health : a global access science source 20100101 |
| The Hand Eczema Trial (HET): Design of a randomised clinical trial of the effect of classification and individual counselling versus no intervention among health-care workers with hand eczema. | BMC dermatology 20100101 |
| Reactivity of isothiazolones and isothiazolone-1-oxides in the inhibition of the PCAF histone acetyltransferase. | European journal of medicinal chemistry 20091201 |
| Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations. | Chemical research in toxicology 20091201 |
| The epidemiology of contact allergy. Allergen exposure and recent trends. | Giornale italiano di dermatologia e venereologia : organo ufficiale, Societa italiana di dermatologia e sifilografia 20091001 |
| The efficacy of biocides and other chemical additives in cooling water systems in the control of amoebae. | Journal of applied microbiology 20090301 |
| Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs). | Bioorganic & medicinal chemistry 20090115 |
| Synthesis and elastase-inhibiting activity of 2-pyridinyl-isothiazol-3(2H)-one 1,1-dioxides. | Bioorganic & medicinal chemistry 20080901 |
| Structure-activity relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G2. | Toxicology 20080418 |
| Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-butyltin(IV) with 2-thiobarbituric acid. | Bioinorganic chemistry and applications 20080101 |
| Differential effects of allergens and irritants on early differentiating monocyte-derived dendritic cells. | European journal of dermatology : EJD 20080101 |
| Occupational contact dermatitis. | Allergy, asthma, and clinical immunology : official journal of the Canadian Society of Allergy and Clinical Immunology 20080101 |
| Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry. | Journal of chromatography. A 20070914 |
| Differences in kinetics of structurally related competitive GABA(A) receptor antagonists. | Neuropharmacology 20070301 |
| Comparison of reactivity to allergens using the TRUE Test and IQ chamber system. | Contact dermatitis 20070301 |
| In vitro antifungal activity of 2-(4-substituted phenyl)-3(2H)-isothiazolones. | Folia microbiologica 20070101 |
| A sensitive radioimmunoassay of insulin autoantibody: reduction of non-specific binding of [125I]insulin. | Journal of autoimmunity 20060301 |
| Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology. | Journal of medicinal chemistry 20060223 |
| Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups. | Organic & biomolecular chemistry 20051121 |
| Structure-activity relationships in 3-isothiazolones. | Organic & biomolecular chemistry 20051021 |
| The relative cytotoxicity of personal care preservative systems in Balb/C 3T3 clone A31 embryonic mouse cells and the effect of selected preservative systems upon the toxicity of a standard rinse-off formulation. | Toxicology in vitro : an international journal published in association with BIBRA 20051001 |
| Investigation of biocide efficacy by photoacoustic biofilm monitoring. | Water research 20040301 |
| From knowledge generation to knowledge archive. A general strategy using TOPS-MODE with DEREK to formulate new alerts for skin sensitization. | Journal of chemical information and computer sciences 20040101 |
| Co-existing sensitivity to metronidazole and isothiazolinone. | Clinical and experimental dermatology 20030901 |
| 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)]. | Acta crystallographica. Section C, Crystal structure communications 20010901 |
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