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

In stock
Item Number
C114515
Grouped product items
SKU Size
Availability
Price Qty
C114515-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$239.90
C114515-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$652.90

Basic Description

Synonyms BRN 2937178 | Ro-Neet 6E | Ro-Neet 6-E | S-Ethyl (cyclohexyl)ethylthiocarbamate | Q1147426 | HSDB 1712 | Carbamic acid, cyclohexylethylthio-, S-ethyl ester | S-Ethyl cyclohexyl(ethyl)carbamothioate | FT-0603168 | CYCLOATE | CYCLOATE [HSDB] | EINECS 214-48
Specifications & Purity analytical standard
Shipped In Normal
Grade analytical standard

Taxonomic Classification

Taxonomy Tree

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 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
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 Thiocarbamate herbicides

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name S-ethyl N-cyclohexyl-N-ethylcarbamothioate
INCHI InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKey DFCAFRGABIXSDS-UHFFFAOYSA-N
Smiles CCN(C1CCCCC1)C(=O)SCC
Isomeric SMILES CCN(C1CCCCC1)C(=O)SCC
WGK Germany 2
RTECS GU7200000
UN Number 3082
Packing Group III
Molecular Weight 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=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Flash Point(°F) >100 °C
Flash Point(°C) >100°C
Molecular Weight 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

Solution Calculators

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