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88571-85-1 | Thiazole, 4-(4-methylphenyl)-2-(tetrahydro-2-methyl-2H-pyran-4-yl)-
CAS No: 88571-85-1 Catalog No: AG004BVH MDL No:
Product Description
Catalog Number:
AG004BVH
Chemical Name:
Thiazole, 4-(4-methylphenyl)-2-(tetrahydro-2-methyl-2H-pyran-4-yl)-
CAS Number:
88571-85-1
Molecular Formula:
C16H19NOS
Molecular Weight:
273.3932
IUPAC Name:
2-(2-methyloxan-4-yl)-4-(4-methylphenyl)-1,3-thiazole
InChI:
InChI=1S/C16H19NOS/c1-11-3-5-13(6-4-11)15-10-19-16(17-15)14-7-8-18-12(2)9-14/h3-6,10,12,14H,7-9H2,1-2H3
InChI Key:
XIQPYTVZLGRERA-UHFFFAOYSA-N
SMILES:
CC1OCCC(C1)c1scc(n1)c1ccc(cc1)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.394g/mol
Monoisotopic Mass:
273.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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