Cas no 61323-62-4 (3(2H)-Isothiazolone, 2-octyl-, 1-oxide)
61323-62-4 structure
Product Name:3(2H)-Isothiazolone, 2-octyl-, 1-oxide
CAS No:61323-62-4
MF:C11H19NO2S
MW:229.339061975479
CID:484039
PubChem ID:15960475
Update Time:2025-04-19
3(2H)-Isothiazolone, 2-octyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isothiazolone, 2-octyl-, 1-oxide
- 2-octyl-1-oxo-1,2-thiazol-3-one
- DTXSID50580488
- SCHEMBL997392
- 2-Octyl-1H-1lambda~4~,2-thiazole-1,3(2H)-dione
- IVBRXZKAFFZJPB-UHFFFAOYSA-N
- 2-n-octyl-4-isothiazolin-3-one 1-oxide
- 61323-62-4
-
- Inchi： 1S/C11H19NO2S/c1-2-3-4-5-6-7-9-12-11(13)8-10-15(12)14/h8,10H,2-7,9H2,1H3
- InChI Key： IVBRXZKAFFZJPB-UHFFFAOYSA-N
- SMILES： S1(C=CC(N1CCCCCCCC)=O)=O
Computed Properties
- Exact Mass: 229.11377
- Monoisotopic Mass: 229.11365002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 56.6?2
Experimental Properties
- PSA: 37.38
3(2H)-Isothiazolone, 2-octyl-, 1-oxide Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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