2-(4-Cyanophenyl)benzothiazole - CAS 17930-02-8
Catalog: |
BB013557 |
Product Name: |
2-(4-Cyanophenyl)benzothiazole |
CAS: |
17930-02-8 |
Synonyms: |
4-(1,3-benzothiazol-2-yl)benzonitrile; 4-(1,3-benzothiazol-2-yl)benzonitrile |
IUPAC Name: | 4-(1,3-benzothiazol-2-yl)benzonitrile |
Description: | 2-(4-Cyanophenyl)benzothiazole (CAS# 17930-02-8 ) is a useful research chemical. |
Molecular Weight: | 236.29 |
Molecular Formula: | C14H8N2S |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C#N |
InChI: | InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H |
InChI Key: | FOURLJNIFQPOFD-UHFFFAOYSA-N |
Boiling Point: | 426.6 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | 3.83498 |
Publication Number | Title | Priority Date |
CN-109293599-A | A kind of method of microwave radiation benzo thioamide analog compound synthesis benzothiazole in water phase | 20181129 |
CN-109338402-A | A kind of method of electro-catalysis benzo thioamide analog compound synthesis benzothiazole in water | 20181129 |
CN-109180590-A | A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free | 20180929 |
CN-110099896-A | Polymerizable compound, polymerizable liquid crystal mixture, macromolecule, optical film, optically anisotropic body, polarizing film, display device, antireflection film and compound | 20161227 |
CN-107400100-B | Polymerizable compound, mixture, composition, macromolecule, film, optically anisotropic body, polarizing film and display device | 20160518 |
PMID | Publication Date | Title | Journal |
19215089 | 20090312 | A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution | Journal of medicinal chemistry |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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