Isothiazol-3(2H)-one - CAS 1003-07-2
Catalog: |
BB000167 |
Product Name: |
Isothiazol-3(2H)-one |
CAS: |
1003-07-2 |
Synonyms: |
3-isothiazolone; 1,2-thiazol-3-one |
IUPAC Name: | 1,2-thiazol-3-one |
Description: | Isothiazol-3(2H)-one (CAS# 1003-07-2) is a useful research chemical. |
Molecular Weight: | 101.13 |
Molecular Formula: | C3H3NOS |
Canonical SMILES: | C1=CSNC1=O |
InChI: | InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5) |
InChI Key: | MGIYRDNGCNKGJU-UHFFFAOYSA-N |
Boiling Point: | 86.3 °C at 760 mmHg |
Density: | 1.366 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09834764 |
LogP: | 0.43640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22897783 | 20120901 | A patient's drawing helped the physician to make the correct diagnosis: occupational contact allergy to isothiazolinone | Contact dermatitis |
23007105 | 20120101 | Effects of parabens and isothiazolinone on the microbiological quality of baby shampoo: the challenge test | Biocontrol science |
21728892 | 20110901 | Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment |
21353783 | 20110615 | Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors | Bioorganic & medicinal chemistry |
21394509 | 20110601 | Biocide-containing varnish for the protection of sandstone: comparison of formulations and laboratory test methods | Current microbiology |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.99353489 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.99353489 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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