EPTC Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.759-94-4

CAS: 759-94-4 Cat. No.: E128252 Summenformel: C₉H₁₉NOS Molekulargewicht: 189.32 Beilstein Registry Number: 1762751 EG-Nummer: 212-073-8

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

CCRIS 6035 | EPTC 10 microg/mL in Cyclohexane | FT-0632900 | S-Ethyl-N,N-dipropylthiocarbamate | AC-398 | Carbamic acid, dipropylthio-, S-ethyl ester | CHEBI:4738 | SCHEMBL66482 | S-Ethyl N,N-dipropylthiocarbamate | Caswell No. 435 | Genep EPTC | Ethyl N,

Storage

Room temperature

Shipped In

Normal

Übersicht

Pesticides Single Component Standards

Specifications

Synonyme

CCRIS 6035 | EPTC 10 microg/mL in Cyclohexane | FT-0632900 | S-Ethyl-N,N-dipropylthiocarbamate | AC-398 | Carbamic acid, dipropylthio-, S-ethyl ester | CHEBI:4738 | SCHEMBL66482 | S-Ethyl N,N-dipropylthiocarbamate | Caswell No. 435 | Genep EPTC | Ethyl N,

Spezifikationen & Reinheit

1000ug/ml in Purge and Trap Methanol

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCCN(CCC)C(=O)SCC

IUPAC Name

S-ethyl N,N-dipropylcarbamothioate

InChIKey

GUVLYNGULCJVDO-UHFFFAOYSA-N

INCHI

1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3

Isomere SMILES

CCCN(CCC)C(=O)SCC

WGK Deutschland

1

RTECS

FA4550000

UN-Nummer

2902

Verpackungsgruppe

I

Molekulargewicht

189.32

Beilstein

1762751

Reaxy-Rn

1762751

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762751&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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 acyclic 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 acyclic compound
• Beschreibung: 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: s-triazine

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

Zugehörige Ziele (menschlich)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >100 °C
• Flammpunkt (°C): >100°C
• Molekulargewicht: 189.320 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 189.119 Da
• Monoisotopic Mass: 189.119 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 122.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 759-94-4, the molecular formula is C9H19NOS, and the molecular weight is 189.32 g/mol. InChIKey GUVLYNGULCJVDO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.