アラムイト溶液 - 分析標準、メタノール中10μg/ml、u=3 , CAS No.15263-53-3

CAS: 15263-53-3 Cat. No.: A110027 分子式: C₇H₁₅N₃O₂S₂ 分子量: 237.34 EC番号: 620-418-2

GRADE & PURITY Analytical standard, Moligand™, 10μg/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

Room temperature

Shipped In

ノーマル

Specifications

同義語

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

仕様と純度

分析標準、メタノール中10μg/ml、u=3

保管条件

Room temperature

入荷

ノーマル

等級

Moligand™, 分析用標準物質

名前と識別子

カノニカル・スマイル

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)

異性体SMILES

CN(C)C(CSC(=O)N)CSC(=O)N

分子量

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
    • 分類 Thiocarbonyl compounds
      • Subclass Thiocarbamic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Bemisia tabaci (599 Activities)

Explore this target

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作用メカニズム

化学的性質と物理的性質

• 分子量: 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