Cas no 67362-99-6 (3-Benzothiazol-2-yl-benzonitrile)
67362-99-6 structure
Product Name:3-Benzothiazol-2-yl-benzonitrile
CAS No:67362-99-6
MF:C14H8N2S
MW:236.291721343994
CID:965894
PubChem ID:14813269
Update Time:2025-04-19
3-Benzothiazol-2-yl-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzothiazol-2-yl-benzonitrile
- 3-(1,3-benzothiazol-2-yl)benzonitrile
- 2-(3-cyanophenyl)benzothiazole
- 2-<3-Cyan-phenyl>-benzothiazol
- Benzonitrile,3-(2-benzothiazolyl)
- AKOS005062590
- 67362-99-6
- SCHEMBL25566952
- DTXSID40564313
- HS-5968
- 3-(Benzo[d]thiazol-2-yl)benzonitrile
-
- Inchi： 1S/C14H8N2S/c15-9-10-4-3-5-11(8-10)14-16-12-6-1-2-7-13(12)17-14/h1-8H
- InChI Key： TVVTWDUBURSZHJ-UHFFFAOYSA-N
- SMILES： S1C(C2C=CC=C(C#N)C=2)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 236.04100
- Monoisotopic Mass: 236.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 4
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- PSA: 64.92000
- LogP: 3.83498
3-Benzothiazol-2-yl-benzonitrile Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
67362-99-6 (3-Benzothiazol-2-yl-benzonitrile) Related Products
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- 10205-58-0(6-Methyl-2-phenyl-1,3-benzothiazole)
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- 883-93-2(2-Phenylbenzothiazole)
- 17930-02-8(2-(4-Cyanophenyl)benzothiazole)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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