Copper pyrithione

CAT: 0127-OR906772-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

154592-20-8

MDL Number

MFCD03428057

Purity

95%

Smiles

S=C1C=CC=CN1O[Cu]ON2C=CC=CC2=S

Chemical Information

CopperPyrithione

See also: Copper Pyrithione (annotation moved to).

CAS Number	154592-20-8
PubChem CID	56845428
IUPAC Name	copper;bis(1-hydroxypyridine-2-thione)
Molecular Formula	C10H10CuN2O2S2
Molecular Weight	317.9
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	367

SMILES

C1=CC(=S)N(C=C1)O.C1=CC(=S)N(C=C1)O.[Cu]

InChI

InChI=1S/2C5H5NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;

InChIKey

QHNCWVQDOPICKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154592-20-8

CID: 56845428

Formula: C10H10CuN2O2S2

MW: 317.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	316.947967
Monoisotopic Mass	316.947967
Topological Polar Surface Area	111 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	367
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	3
Compound Is Canonicalized	Yes

Catalog	Name
BUP13580-01	Pyrithione
BUP18478-01	Zinc pyrithione
IN11914-01	Copper Pyrophosphate
IN11698-01	Copper Chromite
IN12790-01	Copper hexadecachlorophthalocyanine
IN11639-01	Copper Fluoroborate
BUP17252-01	Copper tripeptide
IN12162-01	Copper Silicide
IN12905	Copper methionine
BUP08048-01	Copper histidine