Home Thiazoles 1003-07-2
1003-07-2,MFCD09834764
Catalog No.:AA0001F3
1003-07-2 | 3(2H)-Isothiazolone
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100mg
95+%
in stock  
$50.00   $35.00
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250mg
95+%
in stock  
$103.00   $72.00
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1g
95+%
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$276.00   $193.00
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5g
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$929.00   $650.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001F3
Chemical Name:
3(2H)-Isothiazolone
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
Computed 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  

Synonyms
 
3-isothiazolone 
Isothiazol-3(2H)-one 
3-Oxo-2,3-dihydroisothiazole 
1,2-thiazol-3-one 
1,2-Thiazol-3(2H)-one 
UNII-E57JT172V7 
E57JT172V7 
2,3-dihydro-1,2-thiazol-3-one 
NSC93489 
AK101140 
MFCD09834764 
isothiazol-3(2h)-on 
1003-07-2 
NSC 93489 
PubChem20292 
AC1Q1ICR 
Isothiazol-3(2H);-one 
AC1L3XI0 
NCIOpen2_001597 
SCHEMBL19431 
isothiazol-3-ol, AldrichCPR 
2,3-Dihydro-3-oxoisothiazole 
CHEMBL1974422 
3(2H)-Isothiazolone 
DTXSID9074935 
CTK0I0452 
CTK8A0625 
KS-00002AWZ 
MGIYRDNGCNKGJU-UHFFFAOYSA-N 
ZINC1604240 
ZX-AT003052 
ANW-56632 
NSC-93489 
AKOS006345440 
Isothiazol-3-one 
AKOS024046921 
MP-0365 
OR40800 
PS-9316 
RL00029 
AC-25099 
AJ-28075 
AN-48244 
AT-29569 
BL007960 
3-Isothiazolone 
CJ-05709 
EN001217 
NCI60_042085 
SC-14961 
AB0046989 
AX8164472 
TC-069839 
TL8000042 
4CH-005070 
CS-0005502 
isothiazol-3-ol 
FT-0742113 
ST24030814 
Z3786 
003I072 
858I671 
F2167-8909 
Z1741980421 
isothiazolone 
ISOTHIAZOLINONE 
Isothiazolin-3-one 
3-Hydroxyisothiazole 
C3H3NOS 
C3-H3-N-O-S 
CID96917 
AR-1J2839 
isothiazol-3(2H)-one, 95% - 1G 1g 
10072-97-6 
304858-67-1 
1,2-thiazol-3-ol 
THIAZOL-3-ONE 
Literature

Title: A patient's drawing helped the physician to make the correct diagnosis: occupational contact allergy to isothiazolinone.

Journal: Contact dermatitis 20120901

Title: Effects of parabens and isothiazolinone on the microbiological quality of baby shampoo: the challenge test.

Journal: Biocontrol science 20120101

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: Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors.

Journal: Bioorganic & medicinal chemistry 20110615

Title: Biocide-containing varnish for the protection of sandstone: comparison of formulations and laboratory test methods.

Journal: Current microbiology 20110601

Title: [Determination of 3 isothiazolinone preservatives in toys using liquid chromatography-tandem mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20110601

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

Journal: Environmental health : a global access science source 20100101

Title: 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.

Journal: BMC dermatology 20100101

Title: Reactivity of isothiazolones and isothiazolone-1-oxides in the inhibition of the PCAF histone acetyltransferase.

Journal: European journal of medicinal chemistry 20091201

Title: Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations.

Journal: Chemical research in toxicology 20091201

Title: The epidemiology of contact allergy. Allergen exposure and recent trends.

Journal: Giornale italiano di dermatologia e venereologia : organo ufficiale, Societa italiana di dermatologia e sifilografia 20091001

Title: The efficacy of biocides and other chemical additives in cooling water systems in the control of amoebae.

Journal: Journal of applied microbiology 20090301

Title: Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs).

Journal: Bioorganic & medicinal chemistry 20090115

Title: Synthesis and elastase-inhibiting activity of 2-pyridinyl-isothiazol-3(2H)-one 1,1-dioxides.

Journal: Bioorganic & medicinal chemistry 20080901

Title: 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.

Journal: Toxicology 20080418

Title: Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-butyltin(IV) with 2-thiobarbituric acid.

Journal: Bioinorganic chemistry and applications 20080101

Title: Differential effects of allergens and irritants on early differentiating monocyte-derived dendritic cells.

Journal: European journal of dermatology : EJD 20080101

Title: Occupational contact dermatitis.

Journal: Allergy, asthma, and clinical immunology : official journal of the Canadian Society of Allergy and Clinical Immunology 20080101

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

Journal: Journal of chromatography. A 20070914

Title: Differences in kinetics of structurally related competitive GABA(A) receptor antagonists.

Journal: Neuropharmacology 20070301

Title: Comparison of reactivity to allergens using the TRUE Test and IQ chamber system.

Journal: Contact dermatitis 20070301

Title: In vitro antifungal activity of 2-(4-substituted phenyl)-3(2H)-isothiazolones.

Journal: Folia microbiologica 20070101

Title: A sensitive radioimmunoassay of insulin autoantibody: reduction of non-specific binding of [125I]insulin.

Journal: Journal of autoimmunity 20060301

Title: Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology.

Journal: Journal of medicinal chemistry 20060223

Title: Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.

Journal: Organic & biomolecular chemistry 20051121

Title: Structure-activity relationships in 3-isothiazolones.

Journal: Organic & biomolecular chemistry 20051021

Title: 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.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20051001

Title: Investigation of biocide efficacy by photoacoustic biofilm monitoring.

Journal: Water research 20040301

Title: From knowledge generation to knowledge archive. A general strategy using TOPS-MODE with DEREK to formulate new alerts for skin sensitization.

Journal: Journal of chemical information and computer sciences 20040101

Title: Co-existing sensitivity to metronidazole and isothiazolinone.

Journal: Clinical and experimental dermatology 20030901

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

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