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88571-81-7 | Thiazole, 4-phenyl-2-(tetrahydro-2-methyl-2H-pyran-4-yl)-
CAS No: 88571-81-7 Catalog No: AG008BFX MDL No:
Product Description
Catalog Number:
AG008BFX
Chemical Name:
Thiazole, 4-phenyl-2-(tetrahydro-2-methyl-2H-pyran-4-yl)-
CAS Number:
88571-81-7
Molecular Formula:
C15H17NOS
Molecular Weight:
259.3666
IUPAC Name:
2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole
InChI:
InChI=1S/C15H17NOS/c1-11-9-13(7-8-17-11)15-16-14(10-18-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChI Key:
BIXHKCSGAFJSKI-UHFFFAOYSA-N
SMILES:
CC1OCCC(C1)c1scc(n1)c1ccccc1
Properties
Complexity:
267
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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