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828938-40-5 | 1H-Pyrrole-2,5-dithione, 1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-
CAS No: 828938-40-5 Catalog No: AG004RO1 MDL No:
Product Description
Catalog Number:
AG004RO1
Chemical Name:
1H-Pyrrole-2,5-dithione, 1-ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-
CAS Number:
828938-40-5
Molecular Formula:
C19H18N2OS2
Molecular Weight:
354.4890
IUPAC Name:
1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dithione
InChI:
InChI=1S/C19H18N2OS2/c1-3-21-18(23)16(13-7-5-4-6-8-13)17(19(21)24)20-14-9-11-15(22-2)12-10-14/h4-12,20H,3H2,1-2H3
InChI Key:
BYRPUFZFUOVSDM-UHFFFAOYSA-N
SMILES:
CCN1C(=S)C(=C(C1=S)c1ccccc1)Nc1ccc(cc1)OC
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.486g/mol
Monoisotopic Mass:
354.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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