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821782-43-8

821782-43-8 | Benzothiazole, 2-[[(6-chloro-3-pyridinyl)methyl]thio]-

CAS No: 821782-43-8 Catalog No: AG005ISY MDL No:

Product Description

Catalog Number:
AG005ISY
Chemical Name:
Benzothiazole, 2-[[(6-chloro-3-pyridinyl)methyl]thio]-
CAS Number:
821782-43-8
Molecular Formula:
C13H9ClN2S2
Molecular Weight:
292.8070
IUPAC Name:
2-[(6-chloropyridin-3-yl)methylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C13H9ClN2S2/c14-12-6-5-9(7-15-12)8-17-13-16-10-3-1-2-4-11(10)18-13/h1-7H,8H2
InChI Key:
CKTQNTMSKGNPSO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)CSc1nc2c(s1)cccc2

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.99g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.799g/mol
Monoisotopic Mass:
291.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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