Cas no 21277-92-9 (3(2H)-Isothiazolone, 2-propyl-)
21277-92-9 structure
Product Name:3(2H)-Isothiazolone, 2-propyl-
CAS No:21277-92-9
MF:C6H9NOS
MW:143.206760168076
CID:1399947
Update Time:2024-08-16
3(2H)-Isothiazolone, 2-propyl- Chemical and Physical Properties
Names and Identifiers
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- 3(2H)-Isothiazolone, 2-propyl-
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- Inchi： 1S/C6H9NOS/c1-2-4-7-6(8)3-5-9-7/h3,5H,2,4H2,1H3
- InChI Key： PXCPEUSDGQTUFR-UHFFFAOYSA-N
- SMILES： S1C=CC(=O)N1CCC
Computed Properties
- Exact Mass: 143.04057
Experimental Properties
- Density: 1.163±0.06 g/cm3(Predicted)
- Boiling Point: 218.0±23.0 °C(Predicted)
- PSA: 20.31
- pka: -2.03±0.20(Predicted)
3(2H)-Isothiazolone, 2-propyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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