Cas no 7716-59-8 (1,2-Benzisothiazol-3-amine,N-ethyl-, hydrochloride (1:1))
7716-59-8 structure
Product Name:1,2-Benzisothiazol-3-amine,N-ethyl-, hydrochloride (1:1)
CAS No:7716-59-8
MF:C9H11ClN2S
MW:214.715039491653
CID:572296
PubChem ID:3084024
Update Time:2025-04-19
1,2-Benzisothiazol-3-amine,N-ethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3-amine,N-ethyl-, hydrochloride (1:1)
- N-ethyl-1,2-benzisothiazol-3-amine monohydrochloride
- N-ethyl-1,2-benzothiazol-3-amine,hydrochloride
- N-ethyl-1,2-benzisothiazol-3-amine hydrochloride
- GJ9HQP7A0L
- N-Ethyl-1,2-benzisothiazol-3-amine hydrochloride (1:1); N-Ethyl-1,2-benzisothiazol-3-amine monohydrochloride; 3-(Ethylamino)-1,2-benzisothiazole hydrochloride; 3-(Ethylamino)-1,2-benzisothiazole monohydrochloride; Etisazole hydrochloride
- Etisazole hydrochloride
- DTXSID40227916
- NS00081378
- 1,2-BENZISOTHIAZOLE, 3-(ETHYLAMINO)-, MONOHYDROCHLORIDE
- ETISAZOL-HYDROCHLORIDE
- N-ethyl-1,2-benzothiazol-3-amine;hydrochloride
- 7716-59-8
- EINECS 231-738-3
- Q27279127
- 1,2-BENZISOTHIAZOL-3-AMINE, N-ETHYL-, HYDROCHLORIDE (1:1)
- UNII-GJ9HQP7A0L
-
- Inchi： 1S/C9H10N2S.ClH/c1-2-10-9-7-5-3-4-6-8(7)12-11-9;/h3-6H,2H2,1H3,(H,10,11);1H
- InChI Key： SZWACMABFMCJPV-UHFFFAOYSA-N
- SMILES： Cl.S1C2C=CC=CC=2C(=N1)NCC
Computed Properties
- Exact Mass: 214.03333
- Monoisotopic Mass: 214.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 152
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- Boiling Point: 242.2°C at 760 mmHg
- Flash Point: 100.3°C
- PSA: 24.92
1,2-Benzisothiazol-3-amine,N-ethyl-, hydrochloride (1:1) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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