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Home > Pyridines > 1566581-58-5
1566581-58-5 | 4-(1,3-THIAZOL-2-YLMETHYL)PYRIDINE
CAS No: 1566581-58-5 Catalog No: AG01BT2W MDL No:MFCD26887697
Product Description
Catalog Number:
AG01BT2W
Chemical Name:
4-(1,3-THIAZOL-2-YLMETHYL)PYRIDINE
CAS Number:
1566581-58-5
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD26887697
IUPAC Name:
2-(pyridin-4-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C9H8N2S/c1-3-10-4-2-8(1)7-9-11-5-6-12-9/h1-6H,7H2
InChI Key:
PWPOOYMAXUVOLP-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)Cc1nccs1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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