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86803-12-5 | 1-morpholin-4-yl-2-pyren-1-yl-ethanethione
CAS No: 86803-12-5 Catalog No: AG004J3E MDL No:
Product Description
Catalog Number:
AG004J3E
Chemical Name:
1-morpholin-4-yl-2-pyren-1-yl-ethanethione
CAS Number:
86803-12-5
Molecular Formula:
C22H19NOS
Molecular Weight:
345.4574
IUPAC Name:
1-morpholin-4-yl-2-pyren-1-ylethanethione
InChI:
InChI=1S/C22H19NOS/c25-20(23-10-12-24-13-11-23)14-18-7-6-17-5-4-15-2-1-3-16-8-9-19(18)22(17)21(15)16/h1-9H,10-14H2
InChI Key:
SWDYHRFPDBDOGG-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.46g/mol
Monoisotopic Mass:
345.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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