Cas no 360-80-5 (2H-1,2,4-Benzothiadiazine,3,4-dihydro-3-methyl-, 1,1-dioxide)
360-80-5 structure
Product Name:2H-1,2,4-Benzothiadiazine,3,4-dihydro-3-methyl-, 1,1-dioxide
CAS No:360-80-5
MF:C8H10N2O2S
MW:198.242200374603
CID:293973
PubChem ID:21829532
Update Time:2025-04-19
2H-1,2,4-Benzothiadiazine,3,4-dihydro-3-methyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2,4-Benzothiadiazine,3,4-dihydro-3-methyl-, 1,1-dioxide
- 3-methyl-3,4-dihydro-2H-1λ<sup>6</sup>,2,4-benzothiadiazine 1,1-dioxide
- SCHEMBL21416125
- 3-Methyl-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
- CS-0079317
- 3-methyl-3,4-dihydro-2H-1
- DTXSID60618584
- 2H-1,2,4-Benzothiadiazine, 3,4-dihydro-3-methyl-, 1,1-dioxide
- 360-80-5
- D74067
- 3-Methyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
- 3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
- E?,2,4-benzothiadiazine-1,1-dione
- JXIUDFUSAVZJDS-UHFFFAOYSA-N
-
- Inchi： 1S/C8H10N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-6,9-10H,1H3
- InChI Key： JXIUDFUSAVZJDS-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2NC(C)N1)(=O)=O
Computed Properties
- Exact Mass: 198.0464
- Monoisotopic Mass: 198.04629874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 66.6?2
Experimental Properties
- PSA: 49.41
2H-1,2,4-Benzothiadiazine,3,4-dihydro-3-methyl-, 1,1-dioxide Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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