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Propineb (Technical Grade)

CAT: 0572-TRC-P771450-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P771450-1GSize:1 g
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CAS Number
12071-83-9
Hazard Statement
Harmful in contact with skin; UN number: UN3077; Packing Group: III
Smiles
CC1CNC(=S)S[Zn]SC(=S)N1
Molecular Formula
C5 H8 N2 S4 Zn
Molecular Weight
289.8
InChI
InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
Additionnal Information
IUPAC name: 6-methyl-1,3-dithia-5,8-diaza-2λ^{2}-zincacyclononane-4,9-dithione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propineb

Propineb is a polymeric complex of zinc with the propylene 1,2-bis(dithiocarbamate) anionic ligand. A fungicide, it is used to control a wide range of fungal diseases, including downy mildew, brown rot, black rot, red fire, leaf spot, and blight in crops such as grapes, tomatoes, potatoes, berries, citrus, rice and tea. It has a role as an antifungal agrochemical. It is a macromolecule, a zinc coordination entity and a dithiocarbamate salt. It contains a propylene 1,2-bis(dithiocarbamate).

CAS Number12071-83-9
PubChem CID6100711
IUPAC Namezinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate
Molecular FormulaC5H8N2S4Zn
Molecular Weight289.8
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
CC(CNC(=S)[S-])NC(=S)[S-].[Zn+2]
InChI
InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
InChIKey
KKMLIVYBGSAJPM-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Propineb
CAS: 12071-83-9
CID: 6100711
Formula: C5H8N2S4Zn
MW: 289.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass287.886175
Monoisotopic Mass287.886175
Topological Polar Surface Area90.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes