Aramite solution - analytical standard,Moligand™,100μg/ml in methanol,u=3% , CAS No.15263-53-3

CAS: 15263-53-3 Cat. No.: A110026 Fórmula: C₇H₁₅N₃O₂S₂ Peso molecular: 237.34 Número CE: 620-418-2

GRADE & PURITY Analytical standard, Moligand™, 100μg/ml in methanol,u=3%

Synonyms

E78692 | SCHEMBL25918 | S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate | Cartap [BSI:ISO] | DTXSID4044165 | AMY22830 | CARBAMOTHIOIC ACID SC,SC'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER | FT-0658836 | 1,3-Di(carbamoylthio)-2-dimethylaminopropa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

E78692 | SCHEMBL25918 | S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate | Cartap [BSI:ISO] | DTXSID4044165 | AMY22830 | CARBAMOTHIOIC ACID SC,SC'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER | FT-0658836 | 1,3-Di(carbamoylthio)-2-dimethylaminopropa

Especificações e pureza

analytical standard,Moligand™,100μg/ml in methanol,u=3%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™, Padrão analítico

Nomes e identificadores

• Pubchem Sid: 528772121
• Sorrisos canónicos: CN(C)C(CSC(=O)N)CSC(=O)N
• IUPAC Name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate
• InChIKey: IRUJZVNXZWPBMU-UHFFFAOYSA-N
• INCHI: 1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
• SMILES isoméricas: CN(C)C(CSC(=O)N)CSC(=O)N
• Peso molecular: 237.34
• Reaxy-Rn: 1954913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1954913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiocarbonyl compounds
      • Subclass Thiocarbamic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiocarbonyl compounds
• Subclass: Thiocarbamic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocarbamic acid derivatives
• Alternative Parents: Trialkylamines Organic carbonic acids and derivatives Sulfenyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Thiocarbamic acid derivative - Tertiary amine - Carbonic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiocarbamic acid derivatives. These are organic compounds containing a functional group with the general structure OC(=S)NR2 or SC(=O)NR2.
• External Descriptors: Nereistoxin insecticides

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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Bemisia tabaci (599 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 237.300 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 237.061 Da
• Monoisotopic Mass: 237.061 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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

Referências

1. Xiaotong Wang, Shen Jiang, Zhehan Liu, Xiaomeng Sun, Zhe Zhang, Xubin Quan, Tian Zhang, Weikang Kong, Xiaotong Yang, Yang Li.  (2023)  Integrated surface-enhanced Raman spectroscopy and convolutional neural network for quantitative and qualitative analysis of pesticide residues on pericarp.  FOOD CHEMISTRY,      [PMID:38150903] [10.1016/j.foodchem.2023.138214]

2. Ying Zhang, Yunhai Chen, Dianwei Zhang, Huilin Liu, Baoguo Sun.  (2023)  Peptide nanodots-bridged metal-organic framework (PNMOF): Intelligently design a cascade amplification platform for smartphone-facilitated mobile fluorescence imaging detection of pyrethroids.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.143690]

3. Ying Zhang, Huilin Liu, Baoguo Sun.  (2023)  High-precision luminescent covalent organic frameworks with sp2-carbon connection for visual detecting of nereistoxin-related insecticide.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36753911] [10.1016/j.jhazmat.2023.130866]

4. Ying Zhang, Yuqing Xu, Huilin Liu, Baoguo Sun.  (2022)  Ultrahigh sensitivity nitrogen-doping carbon nanotubes-based metamaterial-free flexible terahertz sensing platform for insecticides detection.  FOOD CHEMISTRY,      [PMID:35717347] [10.1016/j.foodchem.2022.133467]

5. Chen Shuqin, Huang Mengna, Huang Mianli, Feng Liang.  (2021)  Fluorometric determination of ziram using CsPbBr3 quantum dots.  MICROCHIMICA ACTA,  188  (11): (1-9).  [PMID:34677687] [10.1007/s00604-021-05045-z]

6. 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]

7. Zhifeng Cai, Shulin Pang, Xinru Ma, Li Zhu, Yefan Zhang, Fang Tian, Caifeng Zhang.  (2020)  One-pot green and simple synthesis of polyvinyl pyrrolidone capped for copper nanoclusters for high selectivity sensing of fluazinam.  Micro & Nano Letters,  15  (9): (606-609).  [PMID:] [10.1049/mnl.2019.0757]

8. Zhang Ying, Yuan Xinyue, Jiang Wei, Liu Huilin.  (2020)  Determination of nereistoxin-related insecticide via quantum-dots-doped covalent organic frameworks in a molecularly imprinted network.  MICROCHIMICA ACTA,  187  (8): (1-9).  [PMID:32685992] [10.1007/s00604-020-04435-z]

9. Qinmei Zhang, Dan Li, Xiukai Cao, Haixin Gu, Wei Deng.  (2019)  Self-Assembled Microgels Arrays for Electrostatic Concentration and Surface-Enhanced Raman Spectroscopy Detection of Charged Pesticides in Seawater.  ANALYTICAL CHEMISTRY,      [PMID:31386345] [10.1021/acs.analchem.9b02106]

10. 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]

11. Bin Yang, Jia Liu, Xin Liu, Shiyue Niu, Fengming Zhang, Yuting Wang, Daqian Song, Shuyun Bi.  (2024)  ZIF-8-wrapped AgNPs modified with β-cyclodextrin for sensitive detection of thiacloprid and imidacloprid by SERS technology.  TALANTA,      [PMID:38986308] [10.1016/j.talanta.2024.126524]

12. Manman Qin, Leting Wang, Kaixin Xu, Zhehao Liang, Chao Zhong, Yanfei Xie, Dan Shan, Jun Yu, Jiang Wang, Hao Fan.  (2025)  Rapid identification of high-viscosity rice soup quality using neutral desorption extractive electrospray ionization mass spectrometry.  Analytical Methods,      [PMID:40758120] [10.1039/D5AY00420A]

13. Liqian Niu, Xian Wang, Xinxin Liu, Xin Liu, Shiyue Niu, Bin Yang, Jia Liu, Shuyun Bi.  (2026)  Construction of the SERS substrate of AgNPs modified with N-Acetyl-L-cysteine and ZnO for sensitive detection of acephate.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2026.121796]