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192707-21-4 | 9-Anthracenecarboxamide, N-(1-pyrrolidinylthioxomethyl)-
CAS No: 192707-21-4 Catalog No: AG002G81 MDL No:
Product Description
Catalog Number:
AG002G81
Chemical Name:
9-Anthracenecarboxamide, N-(1-pyrrolidinylthioxomethyl)-
CAS Number:
192707-21-4
Molecular Formula:
C20H18N2OS
Molecular Weight:
334.4347
IUPAC Name:
N-(pyrrolidine-1-carbothioyl)anthracene-9-carboxamide
InChI:
InChI=1S/C20H18N2OS/c23-19(21-20(24)22-11-5-6-12-22)18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,13H,5-6,11-12H2,(H,21,23,24)
InChI Key:
XFSHLRXHSFVKIX-UHFFFAOYSA-N
SMILES:
S=C(N1CCCC1)NC(=O)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.437g/mol
Monoisotopic Mass:
334.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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