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Nitrate Ionophore V

CAT: 0024-sc-228838Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-228838Size:50 mg
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CAS Number
221011-41-2

Chemical Information

Nitrate Ionophore V
CAS Number221011-41-2
PubChem CID10837357
IUPAC Name8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1(30),2,4,6,11,13,15,17,19,21,26,28-dodecaene-9,24-dithione
Molecular FormulaC26H20N4S2
Molecular Weight452.6
XLogP5.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count32
Formal Charge0
Complexity562
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3NC(=S)NC4=CC=CC=C4C5=CC=CC=C5NC(=S)N2
InChI
InChI=1S/C26H20N4S2/c31-25-27-21-13-5-1-9-17(21)18-10-2-6-14-22(18)28-26(32)30-24-16-8-4-12-20(24)19-11-3-7-15-23(19)29-25/h1-16H,(H2,27,29,31)(H2,28,30,32)
InChIKey
GVMHPPQEENVYSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrate Ionophore V
CAS: 221011-41-2
CID: 10837357
Formula: C26H20N4S2
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass452.11293900
Monoisotopic Mass452.11293900
Topological Polar Surface Area112 Ų
Heavy Atom Count32
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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