Cas no 199172-79-7 (1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-)
![1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]- structure](https://ossimg.kuujia.com/scimg/199500/199172-79-7x500.png)
199172-79-7 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-
CAS No:199172-79-7
MF:C16H14N2O3S
MW:314.358962535858
CID:230361
PubChem ID:10805208
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-
- 199172-79-7
- 2-(3-Oxo-1,2-benzothiazol-2(3H)-yl)ethyl hydrogen phenylcarbonimidate
- Phenylcarbamic acid 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
- DTXSID10941798
-
- Inchi： 1S/C16H14N2O3S/c19-15-13-8-4-5-9-14(13)22-18(15)10-11-21-16(20)17-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
- InChI Key： WHFSGWPZRYXNEC-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CCOC(NC1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 314.072513
- Monoisotopic Mass: 314.072513
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 412
- 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
- Topological Polar Surface Area: 83.9
- XLogP3: 2.7
1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
199172-79-7 (1,2-Benzisothiazol-3(2H)-one,2-[2-[[(phenylamino)carbonyl]oxy]ethyl]-) Related Products
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