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802894-23-1

802894-23-1 | Benzothiazoline, 5-methyl-2-(2-pyridyl)- (8CI)

CAS No: 802894-23-1 Catalog No: AG00GCG1 MDL No:

Product Description

Catalog Number:
AG00GCG1
Chemical Name:
Benzothiazoline, 5-methyl-2-(2-pyridyl)- (8CI)
CAS Number:
802894-23-1
IUPAC Name:
5-methyl-2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C13H12N2S/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h2-8,13,15H,1H3
InChI Key:
CGDRVEIRHJRPEQ-UHFFFAOYSA-N

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.313g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Benzothiazolines as antituberculous agents. Journal of medicinal chemistry 19710301

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