Cas no 89209-04-1 (2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-)
89209-04-1 structure
Product Name:2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-
CAS No:89209-04-1
MF:C11H14N2S
MW:206.307260990143
CID:608713
PubChem ID:13114403
Update Time:2025-04-19
2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-
- 4-tert-butyl-6-methyl-2,1,3-benzothiadiazole
- 89209-04-1
- DTXSID90519010
-
- Inchi： 1S/C11H14N2S/c1-7-5-8(11(2,3)4)10-9(6-7)12-14-13-10/h5-6H,1-4H3
- InChI Key： JNBOTKOXLWMOLA-UHFFFAOYSA-N
- SMILES： S1N=C2C=C(C)C=C(C2=N1)C(C)(C)C
Computed Properties
- Exact Mass: 206.08776963g/mol
- Monoisotopic Mass: 206.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 3.8
- Topological Polar Surface Area: 54?2
2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
89209-04-1 (2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-) Related Products
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