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

CAS: 59669-26-0 Cat. No.: T109986 분자식: C₁₀H₁₈N₄O₄S₃ 분자량: 354.47 EC 번호: 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

동의어

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 |

사양 및 순도

analytical standard, 100ug/ml in acetone

보관 조건

Protected from light,Desiccated,Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528774055
• 정식 스마일: 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+
• 이성체 SMILES: C/C(=N\OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/SC
• WGK 독일: 3
• RTECS: KJ4301050
• PubChem CID: 9601227
• UN 번호: 2757
• 포장 그룹: I
• 분자량: 354.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 녹는점(°C): 168-172°C
• 분자량: 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

참고 문헌

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]