Cas no 38521-29-8 (1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine)
38521-29-8 structure
Product Name:1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine
CAS No:38521-29-8
MF:C9H13N3OS
MW:211.284020185471
CID:1489907
PubChem ID:20498795
Update Time:2025-04-21
1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine Chemical and Physical Properties
Names and Identifiers
-
- 1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine
- 1,2-Benzisothiazol-3(2H)-one, compd. with 1,2-ethanediamine
- 1,2-benzisothiazol-3(2H)-one - ethane-1,2-diamine (1:1)
- 1,2-benzothiazol-3-one,ethane-1,2-diamine
- SCHEMBL11139779
- NS00089211
- DTXSID40959386
- EINECS 253-983-5
- 38521-29-8
- 1,2-Benzothiazol-3-ol--ethane-1,2-diamine (1/1)
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- Inchi： 1S/C7H5NOS.C2H8N2/c9-7-5-3-1-2-4-6(5)10-8-7;3-1-2-4/h1-4H,(H,8,9);1-4H2
- InChI Key： APWRMKMCDGFVRT-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1)=O.NCCN
Computed Properties
- Exact Mass: 211.07809
- Monoisotopic Mass: 211.07793322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 166
- 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
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 81.14
1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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