Home Halogens 3-[6-(bromomethyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]pyridine

3-[6-(bromomethyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]pyridine

CAS No.:
799250-29-6
Catalog Number:
AG01A4UP
Molecular Formula:
C10H9BrN4S
Molecular Weight:
297.1743
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Product Description
Catalog Number:
AG01A4UP
Chemical Name:
3-[6-(bromomethyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]pyridine
CAS Number:
799250-29-6
Molecular Formula:
C10H9BrN4S
Molecular Weight:
297.1743
MDL Number:
MFCD03674753
IUPAC Name:
6-(bromomethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C10H9BrN4S/c11-4-8-6-15-9(13-14-10(15)16-8)7-2-1-3-12-5-7/h1-3,5,8H,4,6H2
InChI Key:
RAHPLJHDYLAVAY-UHFFFAOYSA-N
SMILES:
BrCC1Cn2c(S1)nnc2c1cccnc1
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.973g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.174g/mol
Monoisotopic Mass:
295.973g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties