Cas no 1378079-68-5 (2-Amino-6,6-dibromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one)
1378079-68-5 structure
Product Name:2-Amino-6,6-dibromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CAS No:1378079-68-5
MF:C7H6Br2N2OS
MW:326.008338451386
CID:2855080
Update Time:2023-08-10
2-Amino-6,6-dibromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one Chemical and Physical Properties
Names and Identifiers
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- 2-Amino-6,6-dibromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one
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- Inchi： 1S/C7H6Br2N2OS/c8-7(9)2-1-3-4(5(7)12)13-6(10)11-3/h1-2H2,(H2,10,11)
- InChI Key： RRZOWMNTAZUIDQ-UHFFFAOYSA-N
- SMILES： BrC1(C(C2=C(CC1)N=C(N)S2)=O)Br
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 249
- XLogP3: 2.6
- Topological Polar Surface Area: 84.2
2-Amino-6,6-dibromo-5,6-dihydro-1,3-benzothiazol-7(4H)-one Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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