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magnesium(2+) bis(5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide)

magnesium(2+) bis(5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide)

CAS: 161973-10-0

Formula: C34H36MgN6O6S2

SMILES: [Mg++].CO[C-]1C=CC2=NC(=NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C.CO[C-]1C=CC2=NC(=NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C

IUPAC: magnesium(2+) bis(5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide)

InChI: InChI=1/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2

Composition: C (57.27%), H (5.09%), Mg (3.41%), N (11.79%), O (13.46%), S (8.99%)

Molar Mass: 713.12

Atom Count: 85

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 2
Exact Mass 712.19881695
Formal Charge 0
FSP3 0.35
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey KWORUUGOSLYAGD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 93.25
Topological Polar Surface Area 74.2
Polarizability 37.09
Ring Count 6
Rotatable Bond Count 10

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 161973-10-0 $26.75-$68.80$26.75$38.22$47.39$68.80
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