Cycloate - analytical standard , CAS No.1134-23-2

CAS: 1134-23-2 Cat. No.: C114515 Fórmula: C₁₁H₂₁NOS Peso molecular: 215.36 Beilstein Registry Number: 2937178 Número EC: 214-482-7

CALIDAD & PUREZA Analytical standard

Synonyms

Ro-Neet 6E|Ro-Neet 6-E|S-Ethyl (cyclohexyl)ethylthiocarbamate|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|S-Ethyl cyclohexyl(ethyl)carbamothioate|CYCLOATE|CYCLOATE [HSDB]|Sabet|Cycloate [ISO]|S-Ethyl N-cyclohexyl-N-ethylthiocarbamate|Ro-Neet 10G|Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|R 2063|R-2063|Ronit|Etsan|Cycloate [BSI:ISO]|Eurex|S-Ethyl cyclohexylethylthiocarbamate|S-Ethylethylcyclohexylthiocarbamate|Ethyl 2-((2-aminoethyl)thio)-2-ethylbutanoate|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl N-ethyl-N-cyclohexylthiocarbamate|S-Ethyl N-ethyl-N-cyclohexyl-thiocarbamate|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Ro-Neet E|Carbamothioic acid, N-cyclohexyl-N-ethyl-, S-ethyl ester|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|S-Ethyl N-cyclohexylthiocarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|S-ethyl N-cyclohexyl-N-ethylcarbamothioate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|Ro-Neet|S-Ethyl N-ethylthiocyclohexanecarbamate

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Ro-Neet 6E | Ro-Neet 6-E | S-Ethyl (cyclohexyl)ethylthiocarbamate | Carbamic acid, cyclohexylethylthio-, S-ethyl ester | S-Ethyl cyclohexyl(ethyl)carbamothioate | CYCLOATE | CYCLOATE [HSDB] | Sabet | Cycloate [ISO] | S-Ethyl N-cyclohexyl-N-ethylthiocarbamate | Ro-Neet 10G | Ethyl cyclohexylethylthiocarbamate | S-Ethyl N-cyclohexyl-N-ethyl Show more

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Sonrisas canónicas

CCN(C1CCCCC1)C(=O)SCC

IUPAC Name

S-ethyl N-cyclohexyl-N-ethylcarbamothioate

InChIKey

DFCAFRGABIXSDS-UHFFFAOYSA-N

INCHI

1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3

Isómeros SMILES

CCN(C1CCCCC1)C(=O)SCC

WGK Alemania

2

RTECS

GU7200000

Número ONU

3082

Grupo de embalaje

III

Peso molecular

215.36

Beilstein

2937178

Reaxy-Rn

2937178

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937178&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiocarbonyl compounds
• Subclass: Thiocarbamic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocarbamic acid derivatives
• Alternative Parents: Organic carbonic acids and derivatives Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Thiocarbamic acid derivative - Carbonic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: 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: Thiocarbamate herbicides

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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): >100 °C
• Punto de inflamación (°C): >100°C
• Peso molecular: 215.360 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.134 Da
• Monoisotopic Mass: 215.134 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 178.000
• 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