Aramite - analytical standard,Moligand™,≥99% , CAS No.15263-53-3

CAS: 15263-53-3 Cat. No.: A110025 Molecular Weight: 237.34 EC Number: 620-418-2

GRADE & PURITY Analytical standard, Moligand™, ≥99%

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

Normal

Specifications

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

Specifications & Purity

analytical standard, Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Cartap, an organonitrogen insecticide, can cause a marked irreversible Ca2+-dependent contracture in both isolated mouse and rabbit phrenic nerve-diaphragms. Cartap significantly increases the level of endogenous reactive oxygen species (ROS) in C2C12 cel

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CN(C)C(CSC(=O)N)CSC(=O)N
• Molecular Weight: 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
    • Class Thiocarbonyl compounds
      • Subclass Thiocarbamic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Bemisia tabaci (599 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Easy to dissolve in water, soluble in 95% hot ethanol and anhydrous ethanol, as well as organic solvents such as methanol, dimethylformamide, dimethyl sulfoxide, etc. Slightly soluble in acetone, insoluble in ethyl alcohol and ether
• Molecular Weight: 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

References

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