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80947-91-7 | Pyridine, 4-[2-(methylsulfonyl)-4-thiazolyl]-
CAS No: 80947-91-7 Catalog No: AG0056MT MDL No:
Product Description
Catalog Number:
AG0056MT
Chemical Name:
Pyridine, 4-[2-(methylsulfonyl)-4-thiazolyl]-
CAS Number:
80947-91-7
Molecular Formula:
C9H8N2O2S2
Molecular Weight:
240.3020
IUPAC Name:
2-methylsulfonyl-4-pyridin-4-yl-1,3-thiazole
InChI:
InChI=1S/C9H8N2O2S2/c1-15(12,13)9-11-8(6-14-9)7-2-4-10-5-3-7/h2-6H,1H3
InChI Key:
PVERAELMONQTME-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1scc(n1)c1ccncc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.295g/mol
Monoisotopic Mass:
240.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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