Cas no 7145-98-4 (1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI))
![1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI) structure](https://ossimg.kuujia.com/scimg/7500/7145-98-4x500.png)
7145-98-4 structure
Product Name:1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI)
CAS No:7145-98-4
MF:C19H19N3O6S2
MW:449.500662088394
CID:580360
PubChem ID:225811
Update Time:2025-04-19
1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI)
- DTXSID70991855
- NSC15629
- NSC-15629
- 7145-98-4
- 2,2'-[(Methylazanediyl)di(ethane-2,1-diyl)]di(1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione)
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- Inchi： 1S/C19H19N3O6S2/c1-20(10-12-21-18(23)14-6-2-4-8-16(14)29(21,25)26)11-13-22-19(24)15-7-3-5-9-17(15)30(22,27)28/h2-9H,10-13H2,1H3
- InChI Key： PVUCFNGTVZMSGV-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCN(C)CCN1C(C2C=CC=CC=2S1(=O)=O)=O)=O)(=O)=O
Computed Properties
- Exact Mass: 449.072
- Monoisotopic Mass: 449.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 834
- 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: 1
- Topological Polar Surface Area: 129?2
Experimental Properties
- Density: 1.52
- Boiling Point: 676.9°C at 760 mmHg
- Flash Point: 363.2°C
- Refractive Index: 1.661
- PSA: 128.90000
- LogP: 2.64500
1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
7145-98-4 (1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI)) Related Products
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