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845879-04-1 | [(4,5-Diphenyloxazol-2-ylthio)methyl] methyl cyanocarbonimidodithioate
CAS No: 845879-04-1 Catalog No: AG01F2EE MDL No:
Product Description
Catalog Number:
AG01F2EE
Chemical Name:
[(4,5-Diphenyloxazol-2-ylthio)methyl] methyl cyanocarbonimidodithioate
CAS Number:
845879-04-1
Molecular Formula:
C19H15N3OS3
Molecular Weight:
397.5369
IUPAC Name:
[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C19H15N3OS3/c1-24-19(21-12-20)26-13-25-18-22-16(14-8-4-2-5-9-14)17(23-18)15-10-6-3-7-11-15/h2-11H,13H2,1H3
InChI Key:
UYBIZFPXIIZKCJ-UHFFFAOYSA-N
SMILES:
N#C/N=C(/SCSc1nc(c(o1)c1ccccc1)c1ccccc1)\SC
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.529g/mol
Monoisotopic Mass:
397.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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