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827599-13-3 | Benzoxazole, 2,3-dihydro-2,2-bis(methylthio)-5-phenyl-
CAS No: 827599-13-3 Catalog No: AG008IRM MDL No:
Product Description
Catalog Number:
AG008IRM
Chemical Name:
Benzoxazole, 2,3-dihydro-2,2-bis(methylthio)-5-phenyl-
CAS Number:
827599-13-3
Molecular Formula:
C15H15NOS2
Molecular Weight:
289.4157
IUPAC Name:
2,2-bis(methylsulfanyl)-5-phenyl-3H-1,3-benzoxazole
InChI:
InChI=1S/C15H15NOS2/c1-18-15(19-2)16-13-10-12(8-9-14(13)17-15)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChI Key:
IRVDRSUHWHMACY-UHFFFAOYSA-N
SMILES:
CSC1(SC)Oc2c(N1)cc(cc2)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.411g/mol
Monoisotopic Mass:
289.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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