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89007-59-0 | 1-Piperazinecarbothioamide, N-ethyl-4-pyrazinyl-
CAS No: 89007-59-0 Catalog No: AG0044TX MDL No:
Product Description
Catalog Number:
AG0044TX
Chemical Name:
1-Piperazinecarbothioamide, N-ethyl-4-pyrazinyl-
CAS Number:
89007-59-0
Molecular Formula:
C11H17N5S
Molecular Weight:
251.3512
IUPAC Name:
N-ethyl-4-pyrazin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C11H17N5S/c1-2-13-11(17)16-7-5-15(6-8-16)10-9-12-3-4-14-10/h3-4,9H,2,5-8H2,1H3,(H,13,17)
InChI Key:
WNIWXJQTQWJOAP-UHFFFAOYSA-N
SMILES:
CCNC(=S)N1CCN(CC1)c1nccnc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.352g/mol
Monoisotopic Mass:
251.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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