Ferbam - analytical standard , CAS No.14484-64-1

CAS: 14484-64-1 Cat. No.: F114609 Molecular Weight: 416.49 EC Number: 238-484-2 PubChem CID: 26710

GRADE & PURITY Analytical standard

Synonyms

Ferbam|14484-64-1|Ferric dimethyldithiocarbamate|Iron(III) dimethyldithiocarbamate|Trimanzone|DTXSID8020624|Ferbam [ISO]|Iron, tris(dimethyldithiocarbamato)-|iron(3+) tris(dimethyldithiocarbamate)|FERBAM [HSDB]|FERBAM [IARC]|FERBAM [MI]|DTXCID20624|SKM8W5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Ferbam | 14484-64-1 | Ferric dimethyldithiocarbamate | Iron(III) dimethyldithiocarbamate | Trimanzone | DTXSID8020624 | Ferbam [ISO] | Iron, tris(dimethyldithiocarbamato)- | iron(3+) tris(dimethyldithiocarbamate) | FERBAM [HSDB] | FERBAM [IARC] | FERBAM [MI] | DTXCID20624 | SKM8W5

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
• IUPAC Name: N,N-dimethylcarbamodithioate;iron(3+)
• InChIKey: WHDGWKAJBYRJJL-UHFFFAOYSA-K
• INCHI: 1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
• Isomeric SMILES: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
• PubChem CID: 26710
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 416.49

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: Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - 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: 416.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 415.917 Da
• Monoisotopic Mass: 415.917 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 54.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

References

1. Yan Guo, Xiaojiao Zheng, Xin Wang, Zhuoting Zhang, Shu Qin, Xiaowen Wang, Xu Jing.  (2023)  Deep eutectic solvent-based adhesive tape extraction combined with enzyme inhibition assay for the determination and distinction of dithiocarbamate pesticides in food samples.  TALANTA,      [PMID:37149938] [10.1016/j.talanta.2023.124601]

2. Shuang Lin, Xiaoyu Fang, Guoqiang Fang, Fengping Liu, Haoyu Dong, Haiyan Zhao, Jing Zhang, Bin Dong.  (2023)  Ultrasensitive detection and distinction of pollutants based on SERS assisted by machine learning algorithms.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.133651]

3. Chuhong Zhu, Qiangsheng Zhao, Dexian Huo, Xiaoye Hu, Xiujuan Wang.  (2021)  Electrodeposition of rough gold nanoarrays for surface-enhanced Raman scattering detection.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2021.124388]

4. Abid Hussain, Hongbin Pu, Bingxue Hu, Da-Wen Sun.  (2020)  Au@Ag-TGANPs based SERS for facile screening of thiabendazole and ferbam in liquid milk.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:32949944] [10.1016/j.saa.2020.118908]

5. Chuhong Zhu, Xiujuan Wang, Xiaofei Shi, Feng Yang, Guowen Meng, Qizhong Xiong, Yan Ke, Hua Wang, Yilin Lu, Nianqiang Wu.  (2017)  Detection of Dithiocarbamate Pesticides with a Spongelike Surface-Enhanced Raman Scattering Substrate Made of Reduced Graphene Oxide-Wrapped Silver Nanocubes.  ACS Applied Materials & Interfaces,      [PMID:29058868] [10.1021/acsami.7b13479]