Cas no 16582-61-9 (2-Benzothiazolamine,5,6,7-trichloro-)
16582-61-9 structure
Product Name:2-Benzothiazolamine,5,6,7-trichloro-
CAS No:16582-61-9
MF:C7H3Cl3N2S
MW:253.536116838455
CID:121741
PubChem ID:4619398
Update Time:2025-04-18
2-Benzothiazolamine,5,6,7-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine,5,6,7-trichloro-
- 5,6,7-trichloro-1,3-benzothiazol-2-amine
- 5,6,7-Trichloro-2-benzothiazolamine
- 5,6,7-Trichlorobenzo[d]thiazol-2-amine
- 16582-61-9
- DTXSID60404969
-
- Inchi： 1S/C7H3Cl3N2S/c8-2-1-3-6(5(10)4(2)9)13-7(11)12-3/h1H,(H2,11,12)
- InChI Key： PZTKRJPVVXGQBP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC2=C1SC(N)=N2)Cl)Cl
Computed Properties
- Exact Mass: 251.90849
- Monoisotopic Mass: 251.908252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 206
- 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: 3.9
- Topological Polar Surface Area: 67.2?2
Experimental Properties
- Density: 1.756±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (6.1E-3 g/L) (25 oC),
- PSA: 38.91
2-Benzothiazolamine,5,6,7-trichloro- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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