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127207-06-1 | Copper, [[2,2'-(1-ethyl-1,2-ethanediylidene)bis[N-methylhydrazinecarbothioamidato-κN2,κS]](2-)]-, (SP-4-4)-
CAS No: 127207-06-1 Catalog No: AG000WRI MDL No:
Product Description
Catalog Number:
AG000WRI
Chemical Name:
Copper, [[2,2'-(1-ethyl-1,2-ethanediylidene)bis[N-methylhydrazinecarbothioamidato-κN2,κS]](2-)]-, (SP-4-4)-
CAS Number:
127207-06-1
Molecular Formula:
C8H16CuN6S2++
Molecular Weight:
323.9288
IUPAC Name:
copper;1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
InChI:
InChI=1S/C8H16N6S2.Cu/c1-4-6(12-14-8(16)10-3)5-11-13-7(15)9-2;/h5H,4H2,1-3H3,(H2,9,13,15)(H2,10,14,16);/q;+2
InChI Key:
YUAOROJGTBZHPA-UHFFFAOYSA-N
SMILES:
CCC(=NNC(=S)NC)C=NNC(=S)NC.[Cu+2]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.017g/mol
Formal Charge:
2
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
323.924g/mol
Monoisotopic Mass:
323.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Literature
| Title | Journal |
|---|---|
| Assessment of Cu-ETS as a PET radiopharmaceutical for evaluation of regional renal perfusion. | Nuclear medicine and biology 20070401 |
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