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89007-50-1 | 1-Piperazinecarbothioamide, N-ethyl-4-(2-quinolinyl)-
CAS No: 89007-50-1 Catalog No: AG0044TY MDL No:
Product Description
Catalog Number:
AG0044TY
Chemical Name:
1-Piperazinecarbothioamide, N-ethyl-4-(2-quinolinyl)-
CAS Number:
89007-50-1
Molecular Formula:
C16H20N4S
Molecular Weight:
300.4218
IUPAC Name:
N-ethyl-4-quinolin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C16H20N4S/c1-2-17-16(21)20-11-9-19(10-12-20)15-8-7-13-5-3-4-6-14(13)18-15/h3-8H,2,9-12H2,1H3,(H,17,21)
InChI Key:
HTJGSXRKXZNEHP-UHFFFAOYSA-N
SMILES:
CCNC(=S)N1CCN(CC1)c1ccc2c(n1)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.424g/mol
Monoisotopic Mass:
300.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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