Cas no 17142-84-6 (6-Benzothiazolecarbonitrile,2-ethyl-)
17142-84-6 structure
Product Name:6-Benzothiazolecarbonitrile,2-ethyl-
CAS No:17142-84-6
MF:C10H8N2S
MW:188.248920440674
CID:122129
PubChem ID:638563
Update Time:2025-04-18
6-Benzothiazolecarbonitrile,2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolecarbonitrile,2-ethyl-
- 6-Benzothiazolecarbonitrile,2-ethyl-(8CI,9CI)
- 2-ethyl-1,3-benzothiazole-6-carbonitrile
- InChI=1/C10H8N2S/c1-2-10-12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,2H2,1H
- SCHEMBL6628366
- 6-benzothiazolecarbonitrile, 2-ethyl-
- 2-ethylbenzo[d]thiazole-6-carbonitrile
- 17142-84-6
- AT36696
-
- Inchi： 1S/C10H8N2S/c1-2-10-12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,2H2,1H3
- InChI Key： RTRRDOOYJQCUQJ-UHFFFAOYSA-N
- SMILES： S1C(CC)=NC2C=CC(C#N)=CC1=2
Computed Properties
- Exact Mass: 188.04094
- Monoisotopic Mass: 188.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 2.9
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- PSA: 36.68
6-Benzothiazolecarbonitrile,2-ethyl- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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