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89007-43-2 | 1-Piperazinecarbothioamide, N-(2,6-dichlorophenyl)-4-pyrazinyl-
CAS No: 89007-43-2 Catalog No: AG0044ZM MDL No:
Product Description
Catalog Number:
AG0044ZM
Chemical Name:
1-Piperazinecarbothioamide, N-(2,6-dichlorophenyl)-4-pyrazinyl-
CAS Number:
89007-43-2
Molecular Formula:
C15H15Cl2N5S
Molecular Weight:
368.2841
IUPAC Name:
N-(2,6-dichlorophenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C15H15Cl2N5S/c16-11-2-1-3-12(17)14(11)20-15(23)22-8-6-21(7-9-22)13-10-18-4-5-19-13/h1-5,10H,6-9H2,(H,20,23)
InChI Key:
AEANOFWSPZXMGM-UHFFFAOYSA-N
SMILES:
S=C(N1CCN(CC1)c1cnccn1)Nc1c(Cl)cccc1Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.28g/mol
Monoisotopic Mass:
367.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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