Propineb - analytical standard , CAS No.12071-83-9

CAS: 12071-83-9 Cat. No.: P117247 Formula: (C₅H₈N₂S₄Zn)n Molecular Weight: 289.78 Beilstein Registry Number: 2360676 EC Number: 235-134-0

GRADE & PURITY Analytical standard

Synonyms

Propineb|Antracol|12071-83-9|Methylzineb|Mezineb|Propinebe|Airone|Taifen|Propineb [ISO]|Zinc propylenebis(dithiocarbamate)|Bayer 46131|Zinc propylene bisdithiocarbamate|BAY 46131|CYPROMATE|Zinc 1,2-propylene bisdithiocarbamate|PROPINEB [MI]|DTXSID1052741|

Storage

Room temperature

Shipped In

Normal

Overview

Propineb is a monopolymer propylene analog of zineb. It is classified as a pesticide that inhibits the spore germination on the sheet surface.
Pesticides and plant growth

Specifications

Synonyms

Propineb | Antracol | 12071-83-9 | Methylzineb | Mezineb | Propinebe | Airone | Taifen | Propineb [ISO] | Zinc propylenebis(dithiocarbamate) | Bayer 46131 | Zinc propylene bisdithiocarbamate | BAY 46131 | CYPROMATE | Zinc 1,2-propylene bisdithiocarbamate | PROPINEB [MI] | DTXSID1052741 |

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

504764016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764016

Canonical Smiles

CC(CNC(=S)[S-])NC(=S)[S-].[Zn+2]

IUPAC Name

zinc;N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate

InChIKey

KKMLIVYBGSAJPM-UHFFFAOYSA-L

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

Isomeric SMILES

CC(CNC(=S)[S-])NC(=S)[S-].[Zn+2]

WGK Germany

2

RTECS

ZH4950000

Molecular Weight

289.78

Beilstein

2360676

Reaxy-Rn

12976494

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12976494&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic transition metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• External Descriptors: Dithiocarbamate fungicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 289.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 287.886 Da
• Monoisotopic Mass: 287.886 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 12071-83-9, the molecular formula is C5H8N2S4Zn, and the molecular weight is 289.78 g/mol. InChIKey KKMLIVYBGSAJPM-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.