Cas no 89209-07-4 (2,1,3-Benzothiadiazole, 4,6-bis(1,1-dimethylethyl)-)
89209-07-4 structure
Product Name:2,1,3-Benzothiadiazole, 4,6-bis(1,1-dimethylethyl)-
CAS No:89209-07-4
MF:C14H20N2S
MW:248.387001991272
CID:608710
PubChem ID:13114406
Update Time:2025-04-19
2,1,3-Benzothiadiazole, 4,6-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,1,3-Benzothiadiazole, 4,6-bis(1,1-dimethylethyl)-
- 4,6-ditert-butyl-2,1,3-benzothiadiazole
- DTXSID70519013
- 89209-07-4
- 4,6-Di-tert-butyl-2,1,3-benzothiadiazole
-
- Inchi： 1S/C14H20N2S/c1-13(2,3)9-7-10(14(4,5)6)12-11(8-9)15-17-16-12/h7-8H,1-6H3
- InChI Key： JMKDTUZFIOSAFO-UHFFFAOYSA-N
- SMILES： S1N=C2C=C(C=C(C2=N1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 248.13471982g/mol
- Monoisotopic Mass: 248.13471982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 277
- 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: 5.1
- Topological Polar Surface Area: 54?2
2,1,3-Benzothiadiazole, 4,6-bis(1,1-dimethylethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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