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89007-40-9 | 1-Piperazinecarbothioamide, N-methyl-4-pyrazinyl-
CAS No: 89007-40-9 Catalog No: AG0044ZN MDL No:
Product Description
Catalog Number:
AG0044ZN
Chemical Name:
1-Piperazinecarbothioamide, N-methyl-4-pyrazinyl-
CAS Number:
89007-40-9
Molecular Formula:
C10H15N5S
Molecular Weight:
237.3246
IUPAC Name:
N-methyl-4-pyrazin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C10H15N5S/c1-11-10(16)15-6-4-14(5-7-15)9-8-12-2-3-13-9/h2-3,8H,4-7H2,1H3,(H,11,16)
InChI Key:
RERONBDUSGAQIV-UHFFFAOYSA-N
SMILES:
CNC(=S)N1CCN(CC1)c1nccnc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.325g/mol
Monoisotopic Mass:
237.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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