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89663-45-6 | Piperazine, 1-methyl-4-[2-[4-methyl-2-(methylthio)-5-thiazolyl]ethyl]-
CAS No: 89663-45-6 Catalog No: AG0044WM MDL No:
Product Description
Catalog Number:
AG0044WM
Chemical Name:
Piperazine, 1-methyl-4-[2-[4-methyl-2-(methylthio)-5-thiazolyl]ethyl]-
CAS Number:
89663-45-6
Molecular Formula:
C12H21N3S2
Molecular Weight:
271.4452
IUPAC Name:
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole
InChI:
InChI=1S/C12H21N3S2/c1-10-11(17-12(13-10)16-3)4-5-15-8-6-14(2)7-9-15/h4-9H2,1-3H3
InChI Key:
KGQFIPUXSCZNRQ-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)CCN1CCN(CC1)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.441g/mol
Monoisotopic Mass:
271.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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