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90893-02-0 | Oxazole, 4-methyl-2,5-bis(phenylthio)-
CAS No: 90893-02-0 Catalog No: AG006GP2 MDL No:
Product Description
Catalog Number:
AG006GP2
Chemical Name:
Oxazole, 4-methyl-2,5-bis(phenylthio)-
CAS Number:
90893-02-0
Molecular Formula:
C16H13NOS2
Molecular Weight:
299.4105
IUPAC Name:
4-methyl-2,5-bis(phenylsulfanyl)-1,3-oxazole
InChI:
InChI=1S/C16H13NOS2/c1-12-15(19-13-8-4-2-5-9-13)18-16(17-12)20-14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
ZSYWJOSMHZWKAT-UHFFFAOYSA-N
SMILES:
Cc1nc(oc1Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.406g/mol
Monoisotopic Mass:
299.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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