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188876-05-3 | Piperazine, 1,4-bis[(4-methoxyphenyl)thioxomethyl]- (9CI)
CAS No: 188876-05-3 Catalog No: AG002HF7 MDL No:
Product Description
Catalog Number:
AG002HF7
Chemical Name:
Piperazine, 1,4-bis[(4-methoxyphenyl)thioxomethyl]- (9CI)
CAS Number:
188876-05-3
Molecular Formula:
C20H22N2O2S2
Molecular Weight:
386.5309
IUPAC Name:
[4-(4-methoxybenzenecarbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione
InChI:
InChI=1S/C20H22N2O2S2/c1-23-17-7-3-15(4-8-17)19(25)21-11-13-22(14-12-21)20(26)16-5-9-18(24-2)10-6-16/h3-10H,11-14H2,1-2H3
InChI Key:
NQYBSRFBRIDKNS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=S)N1CCN(CC1)C(=S)c1ccc(cc1)OC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.528g/mol
Monoisotopic Mass:
386.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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