Cas no 312618-86-3 (5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino-)
![5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino- structure](https://ossimg.kuujia.com/scimg/313000/312618-86-3x500.png)
312618-86-3 structure
Product Name:5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino-
CAS No:312618-86-3
MF:C9H5N3O2S
MW:219.219899892807
CID:300779
PubChem ID:15883984
Update Time:2025-04-19
5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino-
- 5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino-(9CI)
- 2-Amino-5H-thiazolo[4,5-f]isoindole-5,7(6H)-dione
- BB 0246588
- AKOS005217053
- 2-Amino-thiazolo[4,5-e]isoindole-5,7-dione
- 312618-86-3
- 2-Amino-5H-[1,3]thiazolo[4,5-f]isoindole-5,7(6H)-dione
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- Inchi： 1S/C9H5N3O2S/c10-9-11-5-1-3-4(2-6(5)15-9)8(14)12-7(3)13/h1-2H,(H2,10,11)(H,12,13,14)
- InChI Key： FEYMYSVBFHUWJC-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C=C3C(NC(C3=CC1=2)=O)=O
Computed Properties
- Exact Mass: 219.01024758g/mol
- Monoisotopic Mass: 219.01024758g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 335
- 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: 0.8
- Topological Polar Surface Area: 113?2
5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino- Related Literature
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
312618-86-3 (5H-Pyrrolo[3,4-f]benzothiazole-5,7(6H)-dione,2-amino-) Related Products
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