Cas no 38705-70-3 (2-Benzothiazolamine,6-chloro-N,4-dimethyl-)
38705-70-3 structure
Product Name:2-Benzothiazolamine,6-chloro-N,4-dimethyl-
CAS No:38705-70-3
MF:C9H9ClN2S
MW:212.699159383774
CID:296805
Update Time:2024-01-27
2-Benzothiazolamine,6-chloro-N,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 2-Benzothiazolamine,6-chloro-N,4-dimethyl-
- 2-Benzothiazolamine,6-chloro-N,4-dimethyl-(9CI)
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- Inchi： 1S/C9H9ClN2S/c1-5-3-6(10)4-7-8(5)12-9(11-2)13-7/h3-4H,1-2H3,(H,11,12)
- InChI Key： FTYPOAGSZBBJDW-UHFFFAOYSA-N
- SMILES： S1C2=CC(Cl)=CC(C)=C2N=C1NC
Computed Properties
- Exact Mass: 212.01767
- Monoisotopic Mass: 212.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 191
- 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
- Topological Polar Surface Area: 53.2A^2
Experimental Properties
- PSA: 24.92
2-Benzothiazolamine,6-chloro-N,4-dimethyl- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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