Cas no 59548-35-5 (3-(1,3-benzothiazol-2-ylamino)isoindol-1-one)
59548-35-5 structure
Product Name:3-(1,3-benzothiazol-2-ylamino)isoindol-1-one
CAS No:59548-35-5
MF:C15H9N3OS
MW:279.316461324692
CID:950306
PubChem ID:135452473
Update Time:2025-04-19
3-(1,3-benzothiazol-2-ylamino)isoindol-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-(1,3-benzothiazol-2-ylamino)isoindol-1-one
- 3-benzothiazol-2-ylamino-isoindol-1-one
- AC1L71P8
- NSC305330
- 59548-35-5
- NSC-305330
-
- Inchi： 1S/C15H9N3OS/c19-14-10-6-2-1-5-9(10)13(17-14)18-15-16-11-7-3-4-8-12(11)20-15/h1-8H,(H,16,17,18,19)
- InChI Key： UUTRIDUNYBRSCW-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)/N=C1/C2C=CC=CC=2C(N/1)=O
Computed Properties
- Exact Mass: 279.04677
- Monoisotopic Mass: 279.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 439
- 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: 3.3
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- Density: 1.5
- Boiling Point: 526°C at 760 mmHg
- Flash Point: 271.9°C
- Refractive Index: 1.797
- PSA: 54.88
- LogP: 3.44680
3-(1,3-benzothiazol-2-ylamino)isoindol-1-one Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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