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119049-32-0 | Methanethione, 1-piperazinyl(3,4,5-trimethoxyphenyl)-
CAS No: 119049-32-0 Catalog No: AG000I45 MDL No:
Product Description
Catalog Number:
AG000I45
Chemical Name:
Methanethione, 1-piperazinyl(3,4,5-trimethoxyphenyl)-
CAS Number:
119049-32-0
Molecular Formula:
C14H20N2O3S
Molecular Weight:
296.3852
IUPAC Name:
piperazin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
InChI:
InChI=1S/C14H20N2O3S/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(20)16-6-4-15-5-7-16/h8-9,15H,4-7H2,1-3H3
InChI Key:
JYUWXXVVJILNHZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=S)N1CCNCC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.385g/mol
Monoisotopic Mass:
296.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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