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90329-05-8 | Isoxazole, 4,5-dihydro-5-methyl-3-phenyl-4-(phenylthio)-, trans-
CAS No: 90329-05-8 Catalog No: AG006RQ6 MDL No:
Product Description
Catalog Number:
AG006RQ6
Chemical Name:
Isoxazole, 4,5-dihydro-5-methyl-3-phenyl-4-(phenylthio)-, trans-
CAS Number:
90329-05-8
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
(4R,5S)-5-methyl-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H15NOS/c1-12-16(19-14-10-6-3-7-11-14)15(17-18-12)13-8-4-2-5-9-13/h2-12,16H,1H3/t12-,16-/m0/s1
InChI Key:
GUGQGTHZUDWMOE-LRDDRELGSA-N
SMILES:
C[C@@H]1ON=C([C@H]1Sc1ccccc1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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