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89663-46-7 | Piperazine, 1-[2-[2-(ethylthio)-4-methyl-5-thiazolyl]ethyl]-4-methyl-
CAS No: 89663-46-7 Catalog No: AG0088MA MDL No:
Product Description
Catalog Number:
AG0088MA
Chemical Name:
Piperazine, 1-[2-[2-(ethylthio)-4-methyl-5-thiazolyl]ethyl]-4-methyl-
CAS Number:
89663-46-7
Molecular Formula:
C13H23N3S2
Molecular Weight:
285.4718
IUPAC Name:
2-ethylsulfanyl-4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole
InChI:
InChI=1S/C13H23N3S2/c1-4-17-13-14-11(2)12(18-13)5-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3
InChI Key:
YAPQEHXWANUMHG-UHFFFAOYSA-N
SMILES:
CCSc1nc(c(s1)CCN1CCN(CC1)C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.468g/mol
Monoisotopic Mass:
285.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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