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84589-36-6 | 2(3H)-Oxazolethione, 4,5-bis(4-methoxyphenyl)-
CAS No: 84589-36-6 Catalog No: AG004UE2 MDL No:
Product Description
Catalog Number:
AG004UE2
Chemical Name:
2(3H)-Oxazolethione, 4,5-bis(4-methoxyphenyl)-
CAS Number:
84589-36-6
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
4,5-bis(4-methoxyphenyl)-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C17H15NO3S/c1-19-13-7-3-11(4-8-13)15-16(21-17(22)18-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H,18,22)
InChI Key:
FNMSBYWGDKRLJD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(=S)oc1c1ccc(cc1)OC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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