NAMI-A

CAT: 0127-BUP01795-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01795-05Size:100 mg

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CAS Number

201653-76-1

Purity

=98%

Smiles

[H+].O=[S](C)(C)[Ru+3]([Cl-])([Cl-])([Cl-])([Cl-])[N]=1C=CNC1.N=1C=CNC1

Chemical Information

Nami-A

CAS Number	201653-76-1
PubChem CID	133082692
IUPAC Name	1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride
Molecular Formula	C8H15Cl4N4ORuS
Molecular Weight	458.2
Topological Polar Surface Area	94.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	81

SMILES

CS(=O)C.C1=C[NH+]=CN1.C1=CN=CN1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3]

InChI

InChI=1S/2C3H4N2.C2H6OS.4ClH.Ru/c2*1-2-5-3-4-1;1-4(2)3;;;;;/h2*1-3H,(H,4,5);1-2H3;4*1H;/q;;;;;;;+3/p-3

InChIKey

RJZBTXZRLXLLKO-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 201653-76-1

CID: 133082692

Formula: C8H15Cl4N4ORuS

MW: 458.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	458.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	458.873458
Monoisotopic Mass	456.876408
Topological Polar Surface Area	94.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	81.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	8
Compound Is Canonicalized	Yes

Catalog	Name
BUP17075-01	L-NAME hydrochloride
OR1090253	A name could not be generated for this structure.