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110220-75-2 | Piperazine, 1-[[(4,5-dihydro-1H-imidazol-2-yl)thio]acetyl]-4-methyl-
CAS No: 110220-75-2 Catalog No: AG008492 MDL No:
Product Description
Catalog Number:
AG008492
Chemical Name:
Piperazine, 1-[[(4,5-dihydro-1H-imidazol-2-yl)thio]acetyl]-4-methyl-
CAS Number:
110220-75-2
Molecular Formula:
C10H18N4OS
Molecular Weight:
242.3411
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C10H18N4OS/c1-13-4-6-14(7-5-13)9(15)8-16-10-11-2-3-12-10/h2-8H2,1H3,(H,11,12)
InChI Key:
HLAPXRNAIIQHFY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)CSC1=NCCN1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.341g/mol
Monoisotopic Mass:
242.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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