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30478-39-8 | 3,5-Diamino-N-(aminothioxomethyl)-6-chloro-2-pyrazinecarboxamide
CAS No: 30478-39-8 Catalog No: AG003AUY MDL No:MFCD17169906
Product Description
Catalog Number:
AG003AUY
Chemical Name:
3,5-Diamino-N-(aminothioxomethyl)-6-chloro-2-pyrazinecarboxamide
CAS Number:
30478-39-8
Molecular Formula:
C6H7ClN6OS
Molecular Weight:
246.6774
MDL Number:
MFCD17169906
IUPAC Name:
3,5-diamino-N-carbamothioyl-6-chloropyrazine-2-carboxamide
InChI:
InChI=1S/C6H7ClN6OS/c7-2-4(9)12-3(8)1(11-2)5(14)13-6(10)15/h(H4,8,9,12)(H3,10,13,14,15)
InChI Key:
ULENEAJYRCAGBD-UHFFFAOYSA-N
SMILES:
NC(=S)NC(=O)c1nc(Cl)c(nc1N)N
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.673g/mol
Monoisotopic Mass:
246.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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