Cas no 860638-96-6 (2H-1,2,4-Benzothiadiazine, 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-, 1,1-dioxide)
860638-96-6 structure
Product Name:2H-1,2,4-Benzothiadiazine, 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-, 1,1-dioxide
CAS No:860638-96-6
MF:C9H10ClFN2O2S
MW:264.704303264618
CID:834212
PubChem ID:11161396
Update Time:2025-04-19
2H-1,2,4-Benzothiadiazine, 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2,4-Benzothiadiazine, 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-, 1,1-dioxide
- 7-Chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
- 860638-96-6
- CHEMBL581906
- SCHEMBL5362165
- 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
- 2H-1,2,4-Benzothiadiazine,7-chloro-4-(2-fluoroethyl)-3,4-dihydro-,1,1-dioxide
- PDYLKRWZXXTAQJ-UHFFFAOYSA-N
- BDBM50251239
- 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-1,1-dioxide
- 7M6
- 7-Chloro-4-(2-Fluoroethyl)-2,3-Dihydro-1,2,4-Benzothiadiazine 1,1-Dioxide
-
- Inchi： 1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
- InChI Key： PDYLKRWZXXTAQJ-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)S(NCN2CCF)(=O)=O
Computed Properties
- Exact Mass: 264.0135546g/mol
- Monoisotopic Mass: 264.0135546g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 57.8?2
2H-1,2,4-Benzothiadiazine, 7-chloro-4-(2-fluoroethyl)-3,4-dihydro-, 1,1-dioxide Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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