Cas no 89542-34-7 (Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide)
![Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide structure](https://ossimg.kuujia.com/scimg/90000/89542-34-7x500.png)
89542-34-7 structure
Product Name:Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide
CAS No:89542-34-7
MF:C15H14BrNS
MW:320.247361660004
CID:597182
PubChem ID:13154505
Update Time:2025-04-19
Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide
- 3-[(3-methylphenyl)methyl]-1,3-benzothiazol-3-ium,bromide
- 3-[(3-Methylphenyl)methyl]-1,3-benzothiazol-3-ium bromide
- DTXSID60522713
- 89542-34-7
-
- Inchi： 1S/C15H14NS.BrH/c1-12-5-4-6-13(9-12)10-16-11-17-15-8-3-2-7-14(15)16;/h2-9,11H,10H2,1H3;1H/q+1;/p-1
- InChI Key： PEDXHPWEGAWMKO-UHFFFAOYSA-M
- SMILES： [Br-].S1C=[N+](C2C=CC=CC1=2)CC1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 319.00303g/mol
- Monoisotopic Mass: 319.00303g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 255
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.1?2
Benzothiazolium, 3-[(3-methylphenyl)methyl]-, bromide Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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