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159298-83-6 | Ethanethione, 2-(4-chlorophenyl)-1-(4-methyl-1-piperazinyl)-
CAS No: 159298-83-6 Catalog No: AG001QL2 MDL No:
Product Description
Catalog Number:
AG001QL2
Chemical Name:
Ethanethione, 2-(4-chlorophenyl)-1-(4-methyl-1-piperazinyl)-
CAS Number:
159298-83-6
Molecular Formula:
C13H17ClN2S
Molecular Weight:
268.8055
IUPAC Name:
2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanethione
InChI:
InChI=1S/C13H17ClN2S/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChI Key:
XOWUCQOFMKHAOW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=S)Cc1ccc(cc1)Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.803g/mol
Monoisotopic Mass:
268.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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