Cas no 613262-33-2 (1,2-Benzisothiazol-3-amine)
1,2-Benzisothiazol-3-amine structure
Product Name:1,2-Benzisothiazol-3-amine
CAS No:613262-33-2
MF:C7H6N2S
MW:150.200939655304
CID:2737093
PubChem ID:89966
Update Time:2025-04-21
1,2-Benzisothiazol-3-amine Chemical and Physical Properties
Names and Identifiers
-
- MFCD00726295
- 3-iminobenzisothiazoline
- benzo[d]isothiazol-3-ylamine
- 1,2-Benzisothiazol-3-amine
- FS-2862
- Z56774438
- SCHEMBL290849
- SMR000060378
- EN300-188513
- HMS1753B15
- aminobenzoisothiazole
- DB-025529
- AA-516/30012037
- CS-W019021
- EINECS 245-388-4
- 613262-33-2
- benzo[d]isothiazol-3-amine
- DTXSID40177588
- AC-5045
- AKOS001012886
- 245-388-4
- 3-amino-benzisothiazole
- 3-aminobenzisothiazole
- 1,2-benzothiazol-3-ylamine
- SCHEMBL11654916
- cid_89966
- 1,2-benzothiazol-3-amine
- DTXCID00100079
- NS00027328
- CHEMBL1458786
- BDBM38954
- 23031-78-9
- MLS000081875
- HMS2490B20
-
- Inchi： 1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
- InChI Key： WIJQCPIRWXSWQG-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N)=N1
Computed Properties
- Exact Mass: 150.02516937Da
- Monoisotopic Mass: 150.02516937Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 129
- 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
- Topological Polar Surface Area: 67.2?2
1,2-Benzisothiazol-3-amine Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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