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74404-82-3 | Ethanedithioamide, N,N'-bis(phenyl-1-piperidinylmethyl)-
CAS No: 74404-82-3 Catalog No: AG005LNL MDL No:
Product Description
Catalog Number:
AG005LNL
Chemical Name:
Ethanedithioamide, N,N'-bis(phenyl-1-piperidinylmethyl)-
CAS Number:
74404-82-3
Molecular Formula:
C26H34N4S2
Molecular Weight:
466.7050
IUPAC Name:
N,N'-bis[phenyl(piperidin-1-yl)methyl]ethanedithioamide
InChI:
InChI=1S/C26H34N4S2/c31-25(27-23(21-13-5-1-6-14-21)29-17-9-3-10-18-29)26(32)28-24(22-15-7-2-8-16-22)30-19-11-4-12-20-30/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2,(H,27,31)(H,28,32)
InChI Key:
POSIFSJOATXTMF-UHFFFAOYSA-N
SMILES:
S=C(C(=S)NC(c1ccccc1)N1CCCCC1)NC(c1ccccc1)N1CCCCC1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.222g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.706g/mol
Monoisotopic Mass:
466.222g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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