Cas no 2225-41-4 (1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide)
2225-41-4 structure
Product Name:1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide
CAS No:2225-41-4
MF:C9H10N2O3S
MW:226.252300739288
CID:1407604
PubChem ID:20563513
Update Time:2025-04-20
1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide
- 3-ethyl-2,2-dioxo-1H-2λ<sup>6</sup>,1,3-benzothiadiazin-4-one
- 3-Ethyl-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione
- DTXSID90608771
- SCHEMBL11392984
- 2225-41-4
- 3-ethyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide
-
- Inchi： 1S/C9H10N2O3S/c1-2-11-9(12)7-5-3-4-6-8(7)10-15(11,13)14/h3-6,10H,2H2,1H3
- InChI Key： QXWPVJBLCIRAPQ-UHFFFAOYSA-N
- SMILES： S1(NC2C=CC=CC=2C(N1CC)=O)(=O)=O
Computed Properties
- Exact Mass: 226.0413
- Monoisotopic Mass: 226.04121336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 360
- 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: 2.4
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 66.48
1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-ethyl-, 2,2-dioxide Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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