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89150-24-3 | Oxazole, 2,5-dimethyl-4-[4-(methylthio)phenyl]-
CAS No: 89150-24-3 Catalog No: AG003YSF MDL No:
Product Description
Catalog Number:
AG003YSF
Chemical Name:
Oxazole, 2,5-dimethyl-4-[4-(methylthio)phenyl]-
CAS Number:
89150-24-3
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
2,5-dimethyl-4-(4-methylsulfanylphenyl)-1,3-oxazole
InChI:
InChI=1S/C12H13NOS/c1-8-12(13-9(2)14-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChI Key:
OBPIBYXSSAQSKY-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nc(oc1C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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