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

CAS: 15263-53-3 Cat. No.: A110026 분자식: C₇H₁₅N₃O₂S₂ 분자량: 237.34 EC 번호: 620-418-2

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

Synonyms

S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate|Cartap [BSI:ISO]|CARBAMOTHIOIC ACID SC,SC'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER|1,3-Di(carbamoylthio)-2-dimethylaminopropane|carbamothioic acid S-[3-(carbamoylthio)-2-(dimethylamino)propyl] ester|2-Dimethylamino-1,3-bis(carbamoylthio)propane|S-[3-aminocarbonylsulfanyl-2-(dimethylamino)propyl] carbamothioate|CARBAMIC ACID, THIO-, S,S'-(2-(DIMETHYLAMINO)TRIMETHYLENE) ESTER|CARTAP [MI]|1,3-bis(carbamoylthio)-2-N,N-(dimethylamino)propane|carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester|S,S'-(2-(Dimethylamino)-1,3-propanediyl)dicarbamothioate|S,S'-2-(dimethylamino)propane-1,3-diyl dicarbamothioate|S,S'-[2-(dimethylamino)propane-1,3-diyl] bis(thiocarbamate)|1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane|Carbamothioic acid, S,S'-[2-(dimethylamino)-1,3-propanediyl] ester|Sanvex|S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate|Cartap|Padan|S-(3-carbamoylsulfanyl-2-dimethylaminopropyl) aminomethanethioate|Carbamothioic acid, SC,SC'-[2-(dimethylamino)-1,3-propanediyl] ester|Thiobel

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate | Cartap [BSI:ISO] | CARBAMOTHIOIC ACID SC,SC'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER | 1,3-Di(carbamoylthio)-2-dimethylaminopropane | carbamothioic acid S-[3-(carbamoylthio)-2-(dimethylamino)propyl] ester | 2-Dimethylamino-1,3-bis(carbamoylthio)propane | S-[3-aminocarbonylsulfa Show more

사양 및 순도

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™, 분석 표준물질

이름과 식별자

Pubchem Sid

528772121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772121

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Thiocarbonyl compounds
      • Subclass Thiocarbamic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Bemisia tabaci (599 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 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