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14725-35-0 | Oxazole, 2-(methylthio)-4,5-diphenyl-
CAS No: 14725-35-0 Catalog No: AG001ER9 MDL No:
Product Description
Catalog Number:
AG001ER9
Chemical Name:
Oxazole, 2-(methylthio)-4,5-diphenyl-
CAS Number:
14725-35-0
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
2-methylsulfanyl-4,5-diphenyl-1,3-oxazole
InChI:
InChI=1S/C16H13NOS/c1-19-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3
InChI Key:
PFUQBWRZKDFUHL-UHFFFAOYSA-N
SMILES:
CSc1nc(c(o1)c1ccccc1)c1ccccc1
EC Number:
238-774-9
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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