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122105-97-9 | 9(10H)-Acridinethione, 3,6-bis(2-propyn-1-yloxy)-
CAS No: 122105-97-9 Catalog No: AG0016R2 MDL No:
Product Description
Catalog Number:
AG0016R2
Chemical Name:
9(10H)-Acridinethione, 3,6-bis(2-propyn-1-yloxy)-
CAS Number:
122105-97-9
Molecular Formula:
C19H13NO2S
Molecular Weight:
319.3770
IUPAC Name:
3,6-bis(prop-2-ynoxy)-10H-acridine-9-thione
InChI:
InChI=1S/C19H13NO2S/c1-3-9-21-13-5-7-15-17(11-13)20-18-12-14(22-10-4-2)6-8-16(18)19(15)23/h1-2,5-8,11-12H,9-10H2,(H,20,23)
InChI Key:
JYZAIRWPHLVMGJ-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1)[nH]c1c(c2=S)ccc(c1)OCC#C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.378g/mol
Monoisotopic Mass:
319.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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