Cas no 199172-84-4 (Carbamic acid, ethyl-,3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI))
199172-84-4 structure
Product Name:Carbamic acid, ethyl-,3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI)
CAS No:199172-84-4
MF:C13H16N2O3S
MW:280.342741966248
CID:233597
PubChem ID:10826601
Update Time:2025-04-19
Carbamic acid, ethyl-,3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, ethyl-,3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI)
- 199172-84-4
- Ethylcarbamic acid 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester
- DTXSID40941802
- 3-(3-Oxo-1,2-benzothiazol-2(3H)-yl)propyl hydrogen ethylcarbonimidate
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- Inchi： 1S/C13H16N2O3S/c1-2-14-13(17)18-9-5-8-15-12(16)10-6-3-4-7-11(10)19-15/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,17)
- InChI Key： GRXHNAMWPRBPAH-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CCCOC(NCC)=O)=O
Computed Properties
- Exact Mass: 280.08828
- Monoisotopic Mass: 280.08816355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 338
- 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: 1.9
- Topological Polar Surface Area: 83.9?2
Experimental Properties
- PSA: 58.64
Carbamic acid, ethyl-,3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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