Cas no 163936-79-6 (2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)-)
163936-79-6 structure
Product Name:2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)-
CAS No:163936-79-6
MF:C8H9ClN2O2S
MW:232.687259435654
CID:233889
PubChem ID:3688
Update Time:2025-04-19
2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)-
- IDRA 21
- Idra-21
- GTPL4219
- HMS3267D13
- 2H-1,2,4-Benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (+)-
- 163936-78-5
- BRD-A14344385-001-02-4
- 22503-72-6
- 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine S,S-dioxide
- DTXSID70936887
- FT-0700269
- 7-chloro-3-methyl-3-4-dihydro-2h-1,2,4 benzothiadiazine s,s-dioxide
- SR-01000597374-1
- 2H-1,2,4-Benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)-
- 7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
- 163936-79-6
- IDRA 21, >=98%
- SR-01000597374
- 2H-1,2,4-Benzothiadiazine, 7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide
- MFCD00270874
- (+)-IDRA-21
- BRD-A14344385-001-01-6
- J-014742
- 7-Chloro-3-methyl-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
- 2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide
- UNII-689UW7PT68
- 689UW7PT68
- HB0334
- EX-A737
- HMS3676O19
- CS-0021632
- SCHEMBL195328
- S 18986;S18986;IDRA-21;IDRA21;IDRA 21;AMPAKINE
- 7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6,2,4-benzothiadiazine 1,1-dioxide
- DS-11824
- HY-101528
- NCGC00025050-02
- s2434
- CHEBI:111162
- A878525
- Biomol-NT_000225
- (-)-IDRA-21
- IDRA21
- BCP19065
- CHEMBL77862
- BPBio1_001088
- SY105342
- HMS3412O19
- XAA50372
- 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-S,S-dioxide
- 7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine
- 7-CHLORO-3-METHYL-3,4-DIHYDRO-2H-BENZO(E)(1,2,4)THIADIAZINE 1,1-DIOXIDE
- 7-Chloro-3-methyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
- AKOS024456473
- 7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
- Q5970086
- 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
- 7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione
-
- Inchi： 1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
- InChI Key： VZRNTCHTJRLTMU-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)S(NC(C)N2)(=O)=O
Computed Properties
- Exact Mass: 232.007326
- Monoisotopic Mass: 232.007326
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 314
- 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: 1.5
- Topological Polar Surface Area: 66.6
Experimental Properties
- Density: 1.394
- Boiling Point: 405.1°Cat760mmHg
- Flash Point: 198.8°C
2H-1,2,4-Benzothiadiazine,7-chloro-3,4-dihydro-3-methyl-, 1,1-dioxide, (-)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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