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88571-79-3 | Thiazole, 4-(4-methylphenyl)-2-(tetrahydro-2H-pyran-4-yl)-
CAS No: 88571-79-3 Catalog No: AG004DM4 MDL No:
Product Description
Catalog Number:
AG004DM4
Chemical Name:
Thiazole, 4-(4-methylphenyl)-2-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
88571-79-3
Molecular Formula:
C15H17NOS
Molecular Weight:
259.3666
IUPAC Name:
4-(4-methylphenyl)-2-(oxan-4-yl)-1,3-thiazole
InChI:
InChI=1S/C15H17NOS/c1-11-2-4-12(5-3-11)14-10-18-15(16-14)13-6-8-17-9-7-13/h2-5,10,13H,6-9H2,1H3
InChI Key:
KHBAAIBIVYDMBI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1csc(n1)C1CCOCC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.367g/mol
Monoisotopic Mass:
259.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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