Dithio oxamide - ≥98% , CAS No.79-40-3

CAS: 79-40-3 Cat. No.: D109077 Molecular Weight: 120.2 Beilstein Registry Number: 605577 EC Number: 201-203-9

GRADE & PURITY ≥98%

Synonyms

NCGC00248827-01 | 1,2-ETHANEDISULFENAMIDE | METHYL6-(1-BOC-PIPERIDIN-4-YLOXY)INDOLE-2-CARBOXYLATE | AS-57364 | MFCD00004941 | A839674 | Rubeane | Dithiooxamide | USAF B-43 | USAF EK-4394 | EN300-16583 | RUBEANIC ACID [MI] | NSC 1893 | EINECS 201-203-9 | N

Storage

Room temperature

Shipped In

Normal

Overview

Dithiooxamide is reported to form complexes with Ni(II)
Dithiooxamide may be used in the following studies: 1. Synthesis of thiazolothiazole-linked porous organic polymers under solvothermal conditions. 2. As modifier to prepare the modified glassy carbon electrode, used to investigate the electrochemical properties of quercetin, an important flavonoid derivative. 3. Synthesis of new chelating resin of dithiooxamide (rubeanic acid)-formaldehyde (DTOF), used in separation and concentration of silver ions. 4. Synthesis of N,N′-disubstituted dithiooxamides. 

Specifications

Synonyms

NCGC00248827-01 | 1, 2-ETHANEDISULFENAMIDE | METHYL6-(1-BOC-PIPERIDIN-4-YLOXY)INDOLE-2-CARBOXYLATE | AS-57364 | MFCD00004941 | A839674 | Rubeane | Dithiooxamide | USAF B-43 | USAF EK-4394 | EN300-16583 | RUBEANIC ACID [MI] | NSC 1893 | EINECS 201-203-9 | N

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Chelating agent used in the determination of copper(II), nickel(II) and cobalt(II). Sulfur analog of oxamide.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193765
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193765
• Canonical Smiles: C(=S)(C(=S)N)N
• IUPAC Name: ethanedithioamide
• InChIKey: OAEGRYMCJYIXQT-UHFFFAOYSA-N
• INCHI: 1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
• Isomeric SMILES: C(=S)(C(=S)N)N
• WGK Germany: 3
• RTECS: RP1575000
• Molecular Weight: 120.2
• Beilstein: 605577
• Reaxy-Rn: 605577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605577&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• External Descriptors: Not available

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

• Solubility: Soluble in acetone and chloroform. Insoluble in water.
• Melt Point(°C): ≥300°C
• Molecular Weight: 120.200 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.982 Da
• Monoisotopic Mass: 119.982 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 75.500
• 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: 1

References

1. Xuyi Li, Chen Huang, Yu Fan, Zhiang Bai, Bao-Li An, Jiaqiang Xu, Weiwei Zheng, Yue-Ling Bai.  (2023)  Boosting Solid-State Luminescence of Thiazolothiazole Viologen by Incorporating Metal Halide Clusters to Hinder π-Stacking.  ACS Applied Materials & Interfaces,      [PMID:37729492] [10.1021/acsami.3c09484]

2. Long Huang, Linzhi Zuo, Tao Yu, Haoquan Wang, Zeyang He, Hu Zhou, Shichuan Su, Ting Bian.  (2021)  Two-Dimensional Co/Co9S8 Nanoparticles Decorated N, S Dual-Doped Carbon Composite as an Efficient Electrocatalyst for Zinc-Air Battery.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2021.163108]

3. Yuan Jia, Hao Sun, Hui Dong, Cheng Wang, Xiezhao Lin, Dibo Dong.  (2020)  Scalable and parallelized biochemical assays in paper devices integrated with a programmable binary valve matrix.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128466]

4. Hao Sun, Yuan Jia, Hui Dong, Longxiang Fan, Jianping Zheng.  (2018)  Multiplex quantification of metals in airborne particulate matter via smartphone and paper-based microfluidics.  ANALYTICA CHIMICA ACTA,      [PMID:30442391] [10.1016/j.aca.2018.07.053]

5. Xuyi Li, Chen Huang, Rui Xue, Jia-Ping Tong, Yuehan Cheng, Bao-Li An, Jiaqiang Xu, Yue-Ling Bai.  (2024)  A Viologen Derivative Transition from Photosilence to Sensitive Photochromism through Ion Exchange.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.4c00192]

6. Ding-Ming Xue, Yi-Jun Zhang, Jing-Wen Chen, Hao Yang, Rui-Jie Xie, Shi-Chao Qi, Yuan-Qing Bu, Fei Liu, Hou-Hu Zhang, Jacques Lalevée.  (2024)  Molecular engineering in thizolo[5,4-d]thiazole-based donor-acceptor covalent organic framework Induced high-efficient photosynthesis of H2O2.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.157874]

7. Xiaoqing Wang, Xufeng Zang, Laiyi Deng, Fei Tan, Xingbo Liu, Zhiguo Zhang, Bo Cui, Yishan Fang.  (2024)  Molecularly imprinted Photoelectrochemical sensor for Escherichia coli based on Cu:ZIF-8/KZ3TTz heterojunction.  FOOD CHEMISTRY,      [PMID:39053393] [10.1016/j.foodchem.2024.140495]

8. Yu Sun, Siyu Zuo, Ziye Li, Ping Li, Jianshe Hu.  (2025)  Thiazolo[5,4-d]thiazole conjugated microporous polymers for efficient removal of Hg(II) from wastewater.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40886627] [10.1016/j.jcis.2025.138839]

9. Sun Hao, Jia Yuan, Dong Hui, Fan Longxiang.  (2019)  Graphene oxide nanosheets coupled with paper microfluidics for enhanced on-site airborne trace metal detection.  Microsystems & Nanoengineering,  5  (1): (1-12).  [PMID:31057931] [10.1038/s41378-018-0044-z]