Cas no 68480-30-8 (3(2H)-Isothiazolone,2-octyl-, hydrochloride (1:1))
68480-30-8 structure
Product Name:3(2H)-Isothiazolone,2-octyl-, hydrochloride (1:1)
CAS No:68480-30-8
MF:C11H20ClNOS
MW:249.800601005554
CID:503088
PubChem ID:110375
Update Time:2025-04-19
3(2H)-Isothiazolone,2-octyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isothiazolone,2-octyl-, hydrochloride (1:1)
- 2-octyl-2H-isothiazol-3-one hydrochloride
- 2-n-Octyl-4-isothiazolin-3-one, hydrochloride
- 2-octyl-1,2-thiazol-3(2H)-one hydrochloride (1:1)
- 3(2H)-Isothiazolone, 2-octyl-, hydrochloride
- Octhilinone hydrochloride
- DTXSID2071574
- NS00091246
- 68480-30-8
- 3(2H)-Isothiazolone, 2-octyl-, hydrochloride (1:1)
- SCHEMBL9129130
- EINECS 270-908-1
-
- Inchi： 1S/C11H19NOS.ClH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;/h8,10H,2-7,9H2,1H3;1H
- InChI Key： DPGJMCSIMCJAOO-UHFFFAOYSA-N
- SMILES： Cl.S1C=CC(N1CCCCCCCC)=O
Computed Properties
- Exact Mass: 249.0956
- Monoisotopic Mass: 249.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 204
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- Boiling Point: 304.5°C at 760 mmHg
- Flash Point: 137.9°C
- PSA: 20.31
3(2H)-Isothiazolone,2-octyl-, hydrochloride (1:1) Related Literature
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Guo Yu,Yuanhui Zhang,Lance Schideman,Ted Funk,Zhichao Wang Energy Environ. Sci., 2011,4, 4587-4595
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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