Thiodicarb solution - analytical standard, 100ug/ml in acetone , CAS No.59669-26-0

CAS: 59669-26-0 Cat. No.: T109986 Summenformel: C₁₀H₁₈N₄O₄S₃ Molekulargewicht: 354.47 EG-Nummer: 261-848-7 PubChem CID: 9601227

GRADE & PURITY Analytical standard, 100ug/ml in acetone

Synonyms

AS-74993 | NCGC00163872-01 | (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylidene | THIODICARB | (E)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate |

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-74993 | NCGC00163872-01 | (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylidene | THIODICARB | (E)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate |

Spezifikationen & Reinheit

analytical standard, 100ug/ml in acetone

Storage

Protected from light,Desiccated,Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528774055
• Kanonisches Lächeln: CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
• IUPAC Name: methyl (1E)-N-[methyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
• InChIKey: XDOTVMNBCQVZKG-MKICQXMISA-N
• INCHI: 1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+
• Isomere SMILES: C/C(=N\OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/SC
• WGK Deutschland: 3
• RTECS: KJ4301050
• PubChem CID: 9601227
• UN-Nummer: 2757
• Verpackungsgruppe: I
• Molekulargewicht: 354.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Schmelzpunkt (°C): 168-172°C
• Molekulargewicht: 354.500 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 354.049 Da
• Monoisotopic Mass: 354.049 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 393.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referenzen

1. Cheshari Emily C., Ren Xiaohui, Li Xin.  (2021)  Core–shell Ag-dual template molecularly imprinted composite for detection of carbamate pesticide residues.  CHEMICAL PAPERS,  75  (7): (3679-3693).  [PMID:] [10.1007/s11696-021-01594-y]

2. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]

3. Zhangchi Xiao, Yong Li, Yulun Nie, Liqiang Lu, Chao Yang.  (2025)  A Cu2+-triggered turn-on fluorescence non-enzymatic probe based on covalent organic framework for the detection of methyl parathion.  ANALYTICA CHIMICA ACTA,      [PMID:40021329] [10.1016/j.aca.2025.343775]