Cas no 87707-28-6 (7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6,6-dimethyl-)
87707-28-6 structure
Product Name:7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6,6-dimethyl-
CAS No:87707-28-6
MF:C9H12N2OS
MW:196.269380569458
CID:653214
PubChem ID:71412302
Update Time:2025-04-19
7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6,6-dimethyl-
- 2-amino-6,6-dimethyl-4,5-dihydro-1,3-benzothiazol-7-one
- 2-Amino-6,6-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
- DTXSID90831865
- SCHEMBL16880062
- 87707-28-6
-
- Inchi： 1S/C9H12N2OS/c1-9(2)4-3-5-6(7(9)12)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)
- InChI Key： VFYOIIDDEDKSIM-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2=C1C(C(C)(C)CC2)=O
Computed Properties
- Exact Mass: 196.06703418g/mol
- Monoisotopic Mass: 196.06703418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 242
- 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: 84.2?2
7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-6,6-dimethyl- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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