Cas no 192704-35-1 (2-(Octyldisulfanyl)-1,3-benzothiazole)
192704-35-1 structure
Product Name:2-(Octyldisulfanyl)-1,3-benzothiazole
CAS No:192704-35-1
MF:C15H21NS3
MW:311.528939962387
CID:2787766
Update Time:2023-08-07
2-(Octyldisulfanyl)-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
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- 2-(OCTYLDISULFANYL)-1,3-BENZOTHIAZOLE
- 2-(Octyldisulfanyl)-1,3-benzothiazole
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- Inchi: 1S/C15H21NS3/c1-2-3-4-5-6-9-12-17-19-15-16-13-10-7-8-11-14(13)18-15/h7-8,10-11H,2-6,9,12H2,1H3
- InChI Key: CYXWNSBYVBWROX-UHFFFAOYSA-N
- SMILES: S(CCCCCCCC)SC1=NC2C=CC=CC=2S1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 237
- XLogP3: 6.7
- Topological Polar Surface Area: 91.7
2-(Octyldisulfanyl)-1,3-benzothiazole Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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